SCHEMBL7475985

SCHEMBL7475985

COc1cc2[nH]c(C)nc2cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
GFER P55789 1/20 0.45
MAPT P10636 4/20 0.42
POLB P06746 2/20 0.42
TDP1 Q9NUW8 3/20 0.41
KDM4E B2RXH2 2/20 0.41
BLM P54132 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
ALDH1A1 P00352 3/20 0.41
AMY1A P0DUB6 2/20 0.41
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
PRKDC P78527 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
MCL1 Q07820 1/20 0.39

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
SCHEMBL7475993 0.94 GAA (0.49) GAAGFERMAPTPOLBTDP1
SCHEMBL5008296 0.84 GAA (0.66) GAAMAPTPOLBTDP1KDM4E
SCHEMBL7473228 0.83 KDM4E (0.46) GAAGFERMAPTPOLBTDP1
SCHEMBL2272761 0.80 AMY1A (0.50) MAPTPOLBTDP1KDM4EALDH1A1
SCHEMBL30896324 0.78 GAA (0.51) GAAMAPTPOLBTDP1KDM4E
SCHEMBL7478895 0.78 GAA (0.51) GAAMAPTPOLBTDP1KDM4E
SCHEMBL14819940 0.78 GAA (0.51) GAAMAPTPOLBTDP1KDM4E
SCHEMBL7473230 0.77 KDM4E (0.46) GAAGFERMAPTPOLBTDP1
SCHEMBL6377308 0.77 CHEK1 (0.46) GAAMAPTKDM4EPDGFRAALDH1A1
SCHEMBL10622810 0.76 TDP1 (0.40) GAAMAPTTDP1KDM4EBLM

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
EP-0865281-B1 NAPHTHYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ANTICOAGULANTS BERLEX LAB (US) 2002-04-03 EP disclosed
EP-0865281-A4 NAPHTHYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ANTICOAGULANTS BERLEX LAB (US) 1999-07-28 EP disclosed
US-5849759-A Naphthyl-substituted benzimidazole derivatives as anti-coagulants BERLEX LABORATORIES, INC. (US) 1998-12-15 US disclosed
EP-0865281-A1 NAPHTHYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ANTICOAGULANTS BERLEX LABORATORIES, INC. (US) 1998-09-23 EP disclosed
WO-1997021437-A1 NAPHTHYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ANTICOAGULANTS BERLEX LABORATORIES, INC. (DE) 1997-06-19 WO disclosed