SCHEMBL6650968

SCHEMBL6650968

CC(C)(C)c1ccc(C(=O)Nc2ccc(-c3cc(C4CC4)n(C(=O)NCCc4ccccc4)n3)c(O)c2)cc1.CC(C)(C)c1ccc(C(=O)Nc2ccc(-c3cc(C4CC4)n(C(=O)NCc4ccccc4)n3)c(O)c2)cc1.CCCNC(=O)n1nc(-c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2O)cc1C1CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ PPARA Q07869 4/20 0.39
▸ PPARG P37231 2/20 0.39
▸ ESRRG P62508 4/20 0.38
▸ NR1H4 Q96RI1 3/20 0.37
▸ NAMPT P43490 2/20 0.37
▸ KCNK9 Q9NPC2 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ ACKR3 P25106 1/20 0.36

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
SCHEMBL6610153 0.90 MEN1 (0.41) RAB9ANPC1MEN1KMT2ANR1H4
SCHEMBL6618415 0.90 MEN1 (0.44) RAB9AMEN1KMT2ALMNAPPARA
SCHEMBL6622810 0.87 SMN1; SMN2 (0.42) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL6620772 0.87 MEN1 (0.40) RAB9ANPC1MEN1KMT2ANR1H4
SCHEMBL6616573 0.86 NR1H4 (0.41) MEN1KMT2ALMNAPPARAPPARG
SCHEMBL6614537 0.86 ACKR3 (0.41) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL6623315 0.85 KCNK3 (0.43) RAB9ANPC1MEN1KMT2APPARA
SCHEMBL6615882 0.85 NR1H4 (0.41) MEN1KMT2APPARAPPARGESRRG
SCHEMBL6614876 0.84 MEN1 (0.43) RAB9ANPC1MEN1KMT2APPARA
SCHEMBL6621456 0.84 MEN1 (0.44) RAB9ANPC1MEN1KMT2ANR1H4

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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