SCHEMBL7473230

SCHEMBL7473230

COc1cc2nc(C(C)C)[nH]c2cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
AMY1A P0DUB6 2/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
NQO2 P16083 2/20 0.38
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
AAK1 Q2M2I8 1/20 0.38
GFER P55789 1/20 0.37
MAPT P10636 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
SCHEMBL7473228 0.95 KDM4E (0.46) KDM4ELMNAHSD17B10GAATDP1
SCHEMBL7475993 0.83 GAA (0.49) GAATDP1PDGFRBPDGFRAAMY1A
SCHEMBL21102087 0.81 KDM4E (0.57) KDM4ELMNAHSD17B10AMY1APDE3B
SCHEMBL7476702 0.81 LMNA (0.48) KDM4ELMNAHSD17B10GAAPOLB
SCHEMBL13542742 0.81 MAPT (0.50) KDM4ELMNAHSD17B10GAAPOLB
SCHEMBL7476693 0.78 LMNA (0.48) KDM4ELMNAHSD17B10GAAPOLB
SCHEMBL11875522 0.77 LMNA (0.44) KDM4ELMNAHSD17B10GAAPOLB
SCHEMBL7475985 0.77 GAA (0.49) KDM4EHSD17B10GAATDP1PDGFRB
SCHEMBL24313050 0.77 KDM4E (0.53) KDM4ELMNAHSD17B10GAAAMY1A
SCHEMBL24312997 0.77 KDM4E (0.53) KDM4ELMNAHSD17B10AMY1AMEN1

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