SCHEMBL2929031

SCHEMBL2929031

Nc1ccc(Cc2ccc(N)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.62
MAPT P10636 4/20 0.62
MEN1 O00255 3/20 0.62
POLB P06746 3/20 0.62
KMT2A Q03164 3/20 0.62
ALDH1A1 P00352 3/20 0.62
CYP3A4 P08684 2/20 0.62
ALOX15 P16050 1/20 0.62
TSHR P16473 2/20 0.58
LMNA P02545 1/20 0.53
PKM P14618 1/20 0.49
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
SNCA P37840 1/20 0.45
CDC25B P30305 1/20 0.44
CASP6 P55212 1/20 0.44
RCE1 Q9Y256 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30989211 1.00 TDP1 (0.62) TDP1MAPTMEN1POLBKMT2A
SCHEMBL1601620 0.91 ALDH1A1 (0.53) TDP1MAPTMEN1POLBKMT2A
SCHEMBL7811089 0.88 POLB (0.63) TDP1MAPTMEN1POLBKMT2A
SCHEMBL12798874 0.88 TDP1 (0.62) TDP1MAPTMEN1POLBKMT2A
SCHEMBL11079242 0.86 TDP1 (0.60) TDP1MAPTMEN1POLBKMT2A
SCHEMBL31423774 0.86 TDP1 (0.60) TDP1MAPTMEN1POLBKMT2A
SCHEMBL16655546 0.85 TDP1 (0.58) TDP1MAPTMEN1POLBKMT2A
SCHEMBL1069671 0.85 TSHR (0.59) TDP1MAPTMEN1POLBKMT2A
SCHEMBL4588943 0.85 TDP1 (0.58) TDP1MAPTMEN1POLBKMT2A
Hydrochloric Acid SCHEMBL7368798 0.85 TDP1 (0.58) TDP1MAPTMEN1POLBKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5047591-A Single-stage process for producing bis-(amino-nitrophenyl)-methane CIBA-GEIGY CORPORATION (US) 1991-09-10 US claimed
EP-2044136-B1 POLYUREA-POLYURETHANE MOLDINGS AND PROCESS FOR THEIR PRODUCTION BAYER MATERIALSCIENCE AG (DE) 2010-09-15 EP disclosed
EP-2044136-A1 POLYUREA-POLYURETHANE MOLDINGS AND PROCESS FOR THEIR PRODUCTION Bayer MaterialScience AG (DE) 2009-04-08 EP disclosed
US-20080015311-A1 Polyurea-polyurethane molded articles and process for their production BAYER MATERIALSCIENCE AG (DE) 2008-01-17 US disclosed
WO-2008006472-A1 POLYUREA-POLYURETHANE MOLDINGS AND PROCESS FOR THEIR PRODUCTION BAYER MATERIALSCIENCE AG (DE) 2008-01-17 WO disclosed
EP-0573873-B1 Process for the preparation of urethane or urea groups-containing compact or cellular elastomers or mouldings thereof BASF AG (DE) 1997-12-29 EP disclosed
EP-0573867-B1 Process for the preparation of urethane or urethane and urea groups-containing elastomers by using N-perethoxylated polyoxyalkylene-polyamines as reactive components BASF AG (DE) 1997-03-12 EP disclosed
EP-0438695-B1 Process for the preparation of elastic compact or cellular moulded articles on the basis of elastomers containing N-benzylurea groups, such elastomers and N-benzyl-polyoxyalkylene-polyamines suitable therefor BASF AG (DE) 1995-09-20 EP disclosed
US-5364852-A Molding materials BASF AKTIENGESELLSCHAFT (DE) 1994-11-15 US disclosed
EP-0438696-B1 Process for the preparation of elastic compact or cellular moulded articles on the basis of elastomers containing N-substituted urea- and amide groups, such elastomers and polyoxyalkylene-polyamine mixtures, containing polyazomethines, suitable therefor BASF AG (DE) 1994-11-02 EP disclosed
US-4789691-A REACTING POLYISOCYANATE, POLYAZOMETHINE, AND AROMATIC POLYAMINES BASF AKTIENGESELLSCHAFT (DE) 1988-12-06 US disclosed
EP-0157119-B1 PROCESS FOR THE PREPARATION OF OPTIONALLY CELLULAR POLYURETHANE-POLYUREA MOULDED OBJECTS BASF Aktiengesellschaft (DE) 1987-09-30 EP disclosed
US-4636531-A REACTION INJECTION MOLDING, CHAIN EXTENSION, STERIC HINDRANCE, PRIMARY AROMATIC DIAMINE BASF AKTIENGESELLSCHAFT (DE) 1987-01-13 US disclosed
US-4595705-A Using as polyol 95 to 60 percent conventional polyol and 5 to 40 percent aromatic polyester polyol BASF AKTIENGESELLSCHAFT (DE) 1986-06-17 US disclosed
EP-0180758-A1 Process for the preparation of optionally cellular moulded bodies of polyurethane-polyurea by using 2,4 and/or 2,6 tolylene diisocyanates containing urethane and isocyanurate groups BASF Aktiengesellschaft (DE) 1986-05-14 EP disclosed
EP-0157119-A1 Process for the preparation of optionally cellular polyurethane-polyurea moulded objects BASF Aktiengesellschaft (DE) 1985-10-09 EP disclosed
EP-0157120-A1 Process for the preparation of optionally cellular polyurethane-polyurea moulded objects having demoulding properties BASF Aktiengesellschaft (DE) 1985-10-09 EP disclosed
EP-0069286-B1 PROCESS FOR THE PRODUCTION OF POSSIBLY CELLULAR POLYURETHANE POLYUREA MOULDED ARTICLES, AND ALKYL- SUBSTITUTED PHENYLENE DIAMINES FOR THAT PURPOSE BASF Aktiengesellschaft (DE) 1985-09-18 EP disclosed
EP-0109624-A2 Process for producing shaped articles made from polyurethane-polyurea which may be cellular BASF Aktiengesellschaft (DE) 1984-05-30 EP disclosed
EP-0026915-A2 Process for preparing moulded polyurethane-polyurea articles which may contain cells BASF Aktiengesellschaft (DE) 1981-04-15 EP disclosed