SCHEMBL6617319

SCHEMBL6617319

CCCNC(=O)n1nc(-c2ccc(NC(=O)c3ccc(CC)cc3)cc2O)cc1C1CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ MAPT P10636 3/20 0.38
▸ THRB P10828 1/20 0.38
▸ NAMPT P43490 4/20 0.38
▸ MCHR1 Q99705 1/20 0.38
▸ CRACR2A Q9BSW2 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ PTGDR2 Q9Y5Y4 2/20 0.36
▸ KCNA5 P22460 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
SCHEMBL6618133 0.93 RAB9A (0.41) RAB9ANPC1MAPTTHRBMCHR1
SCHEMBL6614797 0.91 RAB9A (0.38) RAB9ANPC1MAPTTHRBNAMPT
SCHEMBL6622810 0.91 SMN1; SMN2 (0.42) RAB9ANPC1MAPTNAMPTMEN1
SCHEMBL6610153 0.90 MEN1 (0.41) RAB9ANPC1MAPTNAMPTCRACR2A
SCHEMBL6615863 0.89 RAB9A (0.40) RAB9ANPC1MAPTTHRBMCHR1
SCHEMBL6614537 0.89 ACKR3 (0.41) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL6618316 0.88 MAPT (0.42) RAB9AMAPTNAMPTCRACR2ASMN1; SMN2
SCHEMBL6604618 0.88 RAB9A (0.40) RAB9ANPC1MAPTTHRBMCHR1
SCHEMBL6620772 0.87 MEN1 (0.40) RAB9ANPC1MAPTNAMPTMEN1
SCHEMBL6617757 0.87 CRACR2A (0.45) MAPTNAMPTCRACR2AKDM4EMEN1

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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