SCHEMBL6616573

SCHEMBL6616573

Cc1ccc(CNC(=O)n2nc(-c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3O)cc2C2CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 4/20 0.41
▸ EPHX2 P34913 3/20 0.41
▸ NAMPT P43490 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MAPK14 Q16539 2/20 0.39
▸ TRPV1 Q8NER1 2/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PPARA Q07869 2/20 0.38
▸ PPARG P37231 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
SCHEMBL6615882 0.93 NR1H4 (0.41) NR1H4EPHX2NAMPTMEN1KMT2A
SCHEMBL6613507 0.92 MAPT (0.42) NAMPTMEN1KMT2AMAPK14LMNA
SCHEMBL6623315 0.91 KCNK3 (0.43) NR1H4NAMPTMEN1KMT2AMAPK14
SCHEMBL6617248 0.90 NR1H4 (0.41) NR1H4EPHX2NAMPTMEN1KMT2A
SCHEMBL6618415 0.89 MEN1 (0.44) NR1H4EPHX2NAMPTMEN1KMT2A
SCHEMBL6615997 0.88 GCGR (0.45) NR1H4EPHX2NAMPTMEN1KMT2A
SCHEMBL6621456 0.88 MEN1 (0.44) NR1H4MEN1KMT2AMAPK14TRPV1
SCHEMBL6616947 0.88 SSTR3 (0.43) NAMPTLMNAMAPT
SCHEMBL6614876 0.87 MEN1 (0.43) NR1H4NAMPTMEN1KMT2AMAPT
SCHEMBL6618867 0.87 TP53 (0.41) NR1H4EPHX2NAMPTMEN1KMT2A

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 2 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
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