SCHEMBL6615882

SCHEMBL6615882

CC(C)(C)c1ccc(C(=O)Nc2ccc(-c3cc(C4CC4)n(C(=O)NCc4ccc(F)cc4)n3)c(O)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 4/20 0.41
▸ EPHX2 P34913 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ NAMPT P43490 2/20 0.41
▸ CTNNB1 P35222 1/20 0.40
▸ TCF7L2 Q9NQB0 1/20 0.40
▸ ACKR3 P25106 1/20 0.39
▸ HTR1F P30939 2/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ENPP2 Q13822 2/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ ESRRG P62508 1/20 0.38
▸ CRACR2A Q9BSW2 1/20 0.38
▸ PPARA Q07869 2/20 0.37
▸ PPARG P37231 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
SCHEMBL6616573 0.93 NR1H4 (0.41) NR1H4EPHX2MEN1KMT2ANAMPT
SCHEMBL6618316 0.92 MAPT (0.42) NAMPTCTNNB1TCF7L2HTR1FHTR1A
SCHEMBL6614876 0.91 MEN1 (0.43) NR1H4MEN1KMT2ANAMPTACKR3
SCHEMBL6617248 0.89 NR1H4 (0.41) NR1H4EPHX2MEN1KMT2ANAMPT
SCHEMBL6618415 0.89 MEN1 (0.44) NR1H4EPHX2MEN1KMT2ANAMPT
SCHEMBL6616947 0.89 SSTR3 (0.43) NAMPTCTNNB1TCF7L2
SCHEMBL6616422 0.88 NAMPT (0.45) NR1H4EPHX2NAMPTCTNNB1TCF7L2
SCHEMBL6621456 0.87 MEN1 (0.44) NR1H4MEN1KMT2ATRPV1CRACR2A
SCHEMBL6615869 0.87 NAMPT (0.41) NR1H4EPHX2MEN1KMT2ANAMPT
SCHEMBL6623315 0.87 KCNK3 (0.43) NR1H4MEN1KMT2ANAMPTACKR3

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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