SCHEMBL6621456

SCHEMBL6621456

CCNC(=O)n1nc(-c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2O)cc1C1CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ TRPV1 Q8NER1 6/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NR1H4 Q96RI1 2/20 0.39
▸ KCNK9 Q9NPC2 1/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ CRACR2A Q9BSW2 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38

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 0.96 MEN1 (0.43) MEN1KMT2ATRPV1NPC1RAB9A
SCHEMBL6610153 0.93 MEN1 (0.41) MEN1KMT2ATRPV1NPC1RAB9A
SCHEMBL6618133 0.90 RAB9A (0.41) MEN1KMT2ATRPV1NPC1RAB9A
SCHEMBL6620772 0.90 MEN1 (0.40) MEN1KMT2ATRPV1NPC1RAB9A
SCHEMBL6618182 0.88 MEN1 (0.43) MEN1KMT2ATRPV1NPC1RAB9A
SCHEMBL6616573 0.88 NR1H4 (0.41) MEN1KMT2ATRPV1NR1H4MAPK14
SCHEMBL6615259 0.88 MEN1 (0.40) MEN1KMT2ATRPV1NPC1RAB9A
SCHEMBL6615882 0.87 NR1H4 (0.41) MEN1KMT2ATRPV1NR1H4CRACR2A
SCHEMBL6618867 0.87 TP53 (0.41) MEN1KMT2ATRPV1SMN1; SMN2NR1H4
SCHEMBL6603511 0.86 MEN1 (0.39) MEN1KMT2ATRPV1NPC1RAB9A

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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