SCHEMBL6617239

SCHEMBL6617239

COc1ccc(CNC(=O)n2nc(-c3ccc(NC(=O)CC(C)C)cc3O)cc2C2CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.40
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ MTNR1B P49286 1/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ GLA P06280 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ HTT P42858 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.37
▸ CDK5 Q00535 1/20 0.37
▸ CDK5R1 Q15078 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TSHR P16473 1/20 0.37

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
SCHEMBL6615813 0.97 MEN1 (0.40) CNR1KMT2AMEN1MTNR1BRAB9A
SCHEMBL6619687 0.91 GAA (0.38) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL6677796 0.88 MAPK14 (0.37) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL6618080 0.88 GAA (0.37) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL6675449 0.87 HPGD (0.43) CNR1KMT2AMEN1RAB9ANPC1
SCHEMBL6616341 0.87 HPGD (0.43) CNR1KMT2AMEN1RAB9ANPC1
SCHEMBL6615797 0.87 DRD2 (0.43) CNR1KMT2AMEN1RAB9AGLA
SCHEMBL6617191 0.87 SMN1; SMN2 (0.41) KMT2AMEN1RAB9ANPC1HTT
SCHEMBL6616445 0.87 SMN1; SMN2 (0.41) KMT2AMEN1RAB9ANPC1HTT
SCHEMBL6620495 0.86 MAPK14 (0.39) KMT2AMEN1RAB9ANPC1ALDH1A1

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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