SCHEMBL7477486

SCHEMBL7477486

Cc1nc2ccc(O)c([N+](=O)[O-])c2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 2/20 0.39
GPR35 Q9HC97 1/20 0.39
MCL1 Q07820 1/20 0.38
CTSB P07858 1/20 0.38
CTSH P09668 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
RAB9A P51151 1/20 0.38
TYMS P04818 2/20 0.37
PIM1 P11309 1/20 0.37
DYRK1A Q13627 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
ESR2 Q92731 2/20 0.37
ESR1 P03372 1/20 0.37
TDP1 Q9NUW8 2/20 0.36

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
SCHEMBL7471308 0.82 MEN1 (0.39) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL31613165 0.81 TYMS (0.47) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL27490743 0.81 MEN1 (0.46) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL4810132 0.80 PIN1 (0.40) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL7483023 0.79 MEN1 (0.53) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL6657867 0.75 PDE3B (0.45) ALDH1A1KDM4EMAPTPOLBRAB9A
SCHEMBL7477477 0.74 ADRB2 (0.50) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL6142558 0.73 TDP1 (0.46) ALDH1A1MEN1KMT2AMAPTCTSB
SCHEMBL28171197 0.73 TYMS (0.38) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL7029119 0.72 MEN1 (0.43) ALDH1A1MEN1KMT2AKDM4EMAPT

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