SCHEMBL6615580

SCHEMBL6615580

COc1ccc(CNC(=O)n2nc(-c3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3O)cc2C2CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.52
▸ NPC1 O15118 5/20 0.52
▸ MEN1 O00255 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ MAPT P10636 5/20 0.46
▸ TSHR P16473 1/20 0.46
▸ KDM4E B2RXH2 4/20 0.44
▸ TP53 P04637 3/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ IMPDH2 P12268 1/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ PKM P14618 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44

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
SCHEMBL6618471 0.97 RAB9A (0.51) RAB9ANPC1MEN1ALDH1A1KMT2A
SCHEMBL6615286 0.96 RAB9A (0.51) RAB9ANPC1MEN1ALDH1A1KMT2A
SCHEMBL6620827 0.92 MAPT (0.49) RAB9ANPC1MEN1ALDH1A1KMT2A
SCHEMBL6620121 0.90 CASP3 (0.50) RAB9ANPC1MEN1ALDH1A1KMT2A
SCHEMBL6614994 0.87 MAPT (0.47) RAB9ANPC1MEN1ALDH1A1KMT2A
SCHEMBL6615766 0.87 NPC1 (0.52) RAB9ANPC1MEN1ALDH1A1KMT2A
SCHEMBL6619547 0.87 CASP3 (0.48) RAB9ANPC1MEN1ALDH1A1KMT2A
SCHEMBL6618762 0.87 MAPT (0.49) RAB9ANPC1MEN1ALDH1A1KMT2A
SCHEMBL6617876 0.86 CASP3 (0.48) RAB9ANPC1MEN1ALDH1A1KMT2A
SCHEMBL6616734 0.85 RAB9A (0.48) RAB9ANPC1MEN1ALDH1A1KMT2A

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 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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