SCHEMBL6620772

SCHEMBL6620772

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MAPK14 Q16539 1/20 0.38
▸ TRPV1 Q8NER1 6/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ NAMPT P43490 1/20 0.37
▸ NR1H4 Q96RI1 1/20 0.37
▸ KCNK9 Q9NPC2 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ TP53 P04637 2/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 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 0.97 MEN1 (0.41) MEN1KMT2AMAPK14TRPV1SMN1; SMN2
SCHEMBL6616880 0.93 MEN1 (0.43) MEN1KMT2AMAPK14TRPV1SMN1; SMN2
SCHEMBL6621456 0.90 MEN1 (0.44) MEN1KMT2AMAPK14TRPV1SMN1; SMN2
SCHEMBL6603511 0.88 MEN1 (0.39) MEN1KMT2AMAPK14TRPV1SMN1; SMN2
SCHEMBL6617757 0.88 CRACR2A (0.45) MEN1KMT2ANAMPTMAPT
SCHEMBL6618415 0.88 MEN1 (0.44) MEN1KMT2ATRPV1RAB9ANAMPT
SCHEMBL6650968 0.87 RAB9A (0.42) MEN1KMT2ANPC1RAB9ANAMPT
SCHEMBL6621127 0.87 MEN1 (0.41) MEN1KMT2AMAPK14TRPV1SMN1; SMN2
SCHEMBL6617319 0.87 RAB9A (0.40) MEN1KMT2ATRPV1SMN1; SMN2NPC1
SCHEMBL6615243 0.86 MAPK14 (0.41) MEN1KMT2AMAPK14SMN1; SMN2NPC1

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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