SCHEMBL7475376

SCHEMBL7475376

COc1ccc2nc(C(C)C)[nH]c2c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
POLB P06746 3/20 0.39
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
AMY1A P0DUB6 3/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
BLM P54132 1/20 0.36
GFER P55789 1/20 0.36
ALDH1A1 P00352 3/20 0.35

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
SCHEMBL7483023 0.82 MEN1 (0.53) MEN1KMT2APOLBKDM4ETDP1
SCHEMBL7471308 0.82 MEN1 (0.39) MEN1KMT2APOLBKDM4ETDP1
SCHEMBL7475368 0.79 MEN1 (0.49) MEN1KMT2APOLBKDM4ETDP1
SCHEMBL28877192 0.78 MEN1 (0.48) MEN1KMT2APOLBKDM4ETDP1
SCHEMBL7473230 0.74 KDM4E (0.46) MEN1KMT2APOLBKDM4ETDP1
SCHEMBL7473228 0.74 KDM4E (0.46) MEN1KMT2APOLBKDM4ETDP1
SCHEMBL22962263 0.73 KDM4E (0.42) MEN1KMT2APOLBKDM4EPDE4A
SCHEMBL15042816 0.73 KDM4E (0.50) KDM4ELMNAALDH1A1HPGDUSP2
SCHEMBL13542755 0.72 TDP1 (0.45) MEN1KMT2APOLBKDM4ETDP1
SCHEMBL24313328 0.72 KDM4E (0.38) MEN1KMT2AKDM4EPDE4APDE4B

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