SCHEMBL6615451

SCHEMBL6615451

Cc1ccc(CNC(=O)n2nc(-c3ccc(NC(=O)c4ccno4)cc3O)cc2C2CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.43
▸ KDM4C Q9H3R0 1/20 0.40
▸ ACE2 Q9BYF1 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ MAPT P10636 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CRACR2A Q9BSW2 1/20 0.36
▸ HTT P42858 2/20 0.35
▸ ACKR3 P25106 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ BACE1 P56817 1/20 0.34
▸ HSD11B1 P28845 1/20 0.34

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
SCHEMBL6617873 0.93 MAPK14 (0.40) MAPK14KDM4CACE2HTR2AKMT2A
SCHEMBL6616464 0.92 KDM4C (0.42) MAPK14KDM4CACE2HTR2AKMT2A
SCHEMBL6615529 0.91 MAPK14 (0.41) MAPK14KDM4CHTR2AKMT2AMEN1
SCHEMBL6614689 0.89 MAPK14 (0.44) MAPK14KDM4CHTR2AKMT2AMEN1
SCHEMBL6618817 0.88 MAPK14 (0.43) MAPK14KDM4CHTR2AKMT2AMEN1
SCHEMBL6618457 0.87 MAPK14 (0.43) MAPK14KDM4CHTR2AKMT2AMEN1
SCHEMBL6615668 0.87 KDM4C (0.49) MAPK14KDM4CACE2HTR2AKMT2A
SCHEMBL6616798 0.87 KDM4C (0.44) MAPK14KDM4CHTR2AKMT2AMEN1
SCHEMBL6617014 0.85 KDM4C (0.41) MAPK14KDM4CHTR2AKMT2AMEN1
SCHEMBL6615391 0.85 KMT2A (0.40) MAPK14KDM4CHTR2AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458379-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2004-09-22 — — EP claimed
WO-2003051358-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2003-06-26 — — WO claimed
EP-1458379-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2004-09-22 — — EP disclosed
WO-2003051358-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2003-06-26 — — WO disclosed
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