SCHEMBL6603511

SCHEMBL6603511

C=CCNC(=O)n1nc(-c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2O)cc1C1CCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAPK14 Q16539 1/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ TRPV1 Q8NER1 7/20 0.37
▸ NR1H4 Q96RI1 2/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 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
SCHEMBL6616880 0.90 MEN1 (0.43) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6620772 0.88 MEN1 (0.40) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6621026 0.87 CRACR2A (0.46) MEN1KMT2ASMN1; SMN2CA1LMNA
SCHEMBL6615863 0.87 RAB9A (0.40) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6621456 0.86 MEN1 (0.44) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6618415 0.86 MEN1 (0.44) MEN1KMT2ARAB9ATRPV1NR1H4
SCHEMBL6615089 0.86 POLB (0.42) MAPK14LMNAMAPT
SCHEMBL6621127 0.85 MEN1 (0.41) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6615827 0.85 RAB9A (0.38) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6610153 0.85 MEN1 (0.41) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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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