SCHEMBL8960775

SCHEMBL8960775

Nc1cccc(-c2ccccc2[N+](=O)[O-])c1N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.53
ALDH1A1 P00352 3/20 0.53
PDE7A Q13946 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MGAM O43451 1/20 0.49
GAA P10253 1/20 0.49
SI P14410 1/20 0.49
MGAM2 Q2M2H8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
S100A4 P26447 2/20 0.47
PTPRC P08575 1/20 0.47
GPR35 Q9HC97 1/20 0.44
PTPN1 P18031 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
MAOB P27338 1/20 0.43
HSD17B10 Q99714 2/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL16937116 0.89 TDP1 (0.57) TDP1ALDH1A1PDE7ASMN1; SMN2MGAM
SCHEMBL2947942 0.86 TDP1 (0.59) TDP1ALDH1A1PDE7ASMN1; SMN2MGAM
SCHEMBL28582831 0.86 GPR35 (0.49) TDP1ALDH1A1PDE7ASMN1; SMN2MGAM
SCHEMBL29337154 0.85 ALDH1A1 (0.57) TDP1ALDH1A1PDE7ASMN1; SMN2MGAM
SCHEMBL24548 0.82 TDP1 (0.60) TDP1ALDH1A1PDE7ASMN1; SMN2GAA
SCHEMBL29448254 0.82 TDP1 (0.60) TDP1ALDH1A1PDE7ASMN1; SMN2GAA
SCHEMBL8519148 0.82 S100A4 (0.55) TDP1ALDH1A1PDE7ASMN1; SMN2MGAM
SCHEMBL1287837 0.82 ALDH1A1 (0.74) TDP1ALDH1A1MGAMGAASI
SCHEMBL30535903 0.82 ALDH1A1 (0.74) TDP1ALDH1A1MGAMGAASI
SCHEMBL15801775 0.81 ALDH1A1 (0.49) TDP1ALDH1A1PDE7ASMN1; SMN2MGAM

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5563118-A FORMING GRAFT POLYMER BY REACTING ETHYLENE-ALPHA OLEFIN POLYMER WITH CARBOXYLIC ACID ACYLATING AGENT AND NITROPHENYL PHENYLENEDIAMINE COMPOUND DSM COPOLYMER, INC. (US) 1996-10-08 US claimed
US-5429757-A ADDITIVE WHICH IMPROVES VISCOSITY INDEX AND IS A DISPERSANT AND AN ANTIOXIDANT IN LUBRICANTS TEXACO INC. (US) 1995-07-04 US claimed
US-5563118-A FORMING GRAFT POLYMER BY REACTING ETHYLENE-ALPHA OLEFIN POLYMER WITH CARBOXYLIC ACID ACYLATING AGENT AND NITROPHENYL PHENYLENEDIAMINE COMPOUND DSM COPOLYMER, INC. (US) 1996-10-08 US disclosed
US-5429757-A ADDITIVE WHICH IMPROVES VISCOSITY INDEX AND IS A DISPERSANT AND AN ANTIOXIDANT IN LUBRICANTS TEXACO INC. (US) 1995-07-04 US disclosed
EP-0391264-A1 Reactive dyes with two or three halogen-N-heterocycles as reactive groups BASF Aktiengesellschaft (DE) 1990-10-10 EP disclosed