SCHEMBL7421985

SCHEMBL7421985

COC(=O)c1ccc2nc(C)[nH]c2c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
GAA P10253 2/20 0.41
GLA P06280 1/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK4 Q16654 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
MAPT P10636 5/20 0.38
MITF O75030 1/20 0.38
TDP1 Q9NUW8 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HSP90AA1 P07900 1/20 0.38
ESR2 Q92731 1/20 0.38

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
SCHEMBL8953027 0.85 KDM4E (0.41) KDM4EGAAGLACA12CA1
SCHEMBL12109510 0.80 KDM4E (0.46) KDM4EGAAPDK2PDK4MAPT
SCHEMBL7421982 0.76 PARP1 (0.47) KDM4EGAAGLACA12CA1
SCHEMBL6657867 0.73 PDE3B (0.45) KDM4EGAAMAPTTDP1HSP90AA1
SCHEMBL3173889 0.72 CA12 (0.59) KDM4EGAAGLACA12CA1
SCHEMBL31210426 0.72 PDE4A (0.44) KDM4EGAAGLAPDK2PDK4
SCHEMBL12237369 0.72 PDE4A (0.61) KDM4EGAAGLAMAPTTSHR
SCHEMBL1553062 0.72 PDE4A (0.52) KDM4EGAAGLAMAPTTDP1
SCHEMBL28724583 0.72 MAPT (0.39) KDM4EGAAGLAPDK2PDK4
SCHEMBL29495197 0.72 MAPT (0.39) KDM4EGAAGLAPDK2PDK4

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