SCHEMBL7477477

SCHEMBL7477477

Cc1nc2c([N+](=O)[O-])c(O)ccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.50
PARP1 P09874 2/20 0.42
CTSB P07858 2/20 0.41
CTSH P09668 1/20 0.41
KDM4E B2RXH2 4/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GPR35 Q9HC97 1/20 0.39
MCL1 Q07820 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
APOBEC3G Q9HC16 1/20 0.38
PIM1 P11309 1/20 0.37
DYRK1A Q13627 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37

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
SCHEMBL7471291 0.82 CTSB (0.38) ADRB2PARP1CTSBCTSHKDM4E
SCHEMBL2004140 0.81 GRIN2D (0.40) ADRB2PARP1KDM4EALDH1A1MEN1
SCHEMBL7483015 0.81 MEN1 (0.54) PARP1KDM4EALDH1A1MAPTMEN1
SCHEMBL4812782 0.80 PIN1 (0.37) ADRB2CTSBKDM4EGPR35ALDH1A1
SCHEMBL6657865 0.75 ADRB2 (0.58) ADRB2PARP1KDM4ECYP1A2CYP2D6
SCHEMBL6509697 0.75 ADRB2 (0.58) ADRB2PARP1KDM4ECYP1A2CYP2D6
SCHEMBL7477486 0.74 ALDH1A1 (0.40) CTSBCTSHKDM4EGPR35MCL1
SCHEMBL6142554 0.73 TDP1 (0.46) ADRB2PARP1CTSBCTSHALDH1A1
SCHEMBL2672168 0.73 CTSB (0.58) PARP1CTSBCTSHKDM4EGPR35
SCHEMBL6506668 0.73 ADRB2 (0.55) ADRB2PARP1KDM4ECYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1110305-C Naphthyl-substituted benzimidazole derivatives as anticoagulants BERLEX LAB (US) 2003-06-04 CN disclosed
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
CN-1209062-A Naphthyl-substituted benzimidazole derivatives as anticoagulants BERLEX LAB (US) 1999-02-24 CN 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