SCHEMBL7588544

SCHEMBL7588544

O=C(c1ccccc1)C(c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
CES1 P23141 2/20 0.61
CES2 O00748 1/20 0.61
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
CNR1 P21554 1/20 0.54
CNR2 P34972 1/20 0.54
POLB P06746 2/20 0.53
NPC1 O15118 1/20 0.53
MITF O75030 1/20 0.53
RAB9A P51151 1/20 0.53
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 3/20 0.50
BCHE P06276 1/20 0.50
MAOB P27338 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL10361101 0.86 CES1 (0.61) TDP1CES1CES2MEN1KMT2A
SCHEMBL6790659 0.85 CES1 (0.65) TDP1CES1CES2MEN1KMT2A
SCHEMBL4481419 0.83 CES1 (0.57) TDP1CES1CES2MEN1KMT2A
SCHEMBL11752809 0.83 CES1 (0.57) TDP1CES1CES2MEN1KMT2A
SCHEMBL28551178 0.83 CES1 (0.57) TDP1CES1CES2MEN1KMT2A
SCHEMBL19667923 0.82 KMT2A (0.60) TDP1L3MBTL1CES1CES2MEN1
SCHEMBL9154632 0.81 ALDH1A1 (0.56) TDP1CES1CES2MEN1KMT2A
SCHEMBL11214879 0.80 TDP1 (0.55) TDP1L3MBTL1CES1CES2MEN1
SCHEMBL28043395 0.79 CES1 (0.66) TDP1CES1CES2MEN1KMT2A
SCHEMBL2927912 0.79 L3MBTL1 (1.00) TDP1L3MBTL1CES1CES2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020121631-A1 Reactive monomer; reactive oligomeric resin; and aqueous polymer emulsion; provides an overprint varnish that can be applied in-line over a conventional lithographic ink. GENERAL ELECTRIC CAPITAL CORPORATION, AS AGENT 2002-09-05 US disclosed
EP-0476822-B1 Energy curable pressure-sensitive compositions MINNESOTA MINING & MFG (US) 1997-03-05 EP disclosed
US-5521227-A ADHESIVES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-05-28 US disclosed
EP-0526463-B1 ENERGY CURABLE CATIONICALLY AND FREE-RADICALLY POLYMERIZABLE PRESSURE-SENSITIVE COMPOSITIONS MINNESOTA MINING & MFG (US) 1996-05-22 EP disclosed
EP-0623152-B1 AN ENERGY-POLYMERIZABLE ADHESIVE, COATING, FILM AND PROCESS FOR MAKING THE SAME MINNESOTA MINING & MFG (US) 1996-01-31 EP disclosed
EP-0521112-B1 POLYMERIC MIXTURES AND PROCESS THEREFOR MINNESOTA MINING & MFG (US) 1996-01-03 EP disclosed
US-5462797-A Photoinitiator system of an organometallic complex and free radical catalyst MINNEAPOLIS MINING AND MANUFACTURING COMPANY (US) 1995-10-31 US disclosed
US-5399637-A Energy-polymerizable adhesive, coating, and film MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-03-21 US disclosed
US-5310840-A Energy-polymerizable adhesive, coating and film MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-05-10 US disclosed
US-5252694-A Curable epoxy-acrylate mixture, catalyst system, peroxide, and alcohol MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-10-12 US disclosed
EP-0563057-A1 REMOVABLE ADHESIVE TAPE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-10-06 EP disclosed
US-5238744-A Tough polymeric mixtures MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-08-24 US disclosed
WO-1992011332-A1 REMOVABLE ADHESIVE TAPE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-07-09 WO disclosed
US-5102924-A Toughness MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-04-07 US disclosed
EP-0476822-A2 Energy curable pressure-sensitive compositions MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-03-25 EP disclosed
US-4707432-A PROTECTIVE COATINGS, IMAGES CIBA-GEIGY CORPORATION (US) 1987-11-17 US disclosed
US-4100046-A Radiation polymerizable cycloalkenyl derivatives of acrylated epoxidized fatty oils or fatty acids UNION CARBIDE CORPORATION (US) 1978-07-11 US disclosed