SCHEMBL6618149

SCHEMBL6618149

Cc1cccc(CNC(=O)n2nc(-c3cc(NC(=O)CC(C)C)ccc3O)cc2C2CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.37
▸ TERT O14746 2/20 0.36
▸ RAB9A P51151 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ ASAH1 Q13510 2/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ CRACR2A Q9BSW2 1/20 0.35
▸ DRD4 P21917 3/20 0.35
▸ MAPT P10636 1/20 0.35
▸ DRD2 P14416 2/20 0.35

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
SCHEMBL6619302 0.97 MAPK14 (0.36) MAPK14TERTRAB9AMEN1NPC1
SCHEMBL6615563 0.92 TERT (0.36) MAPK14TERTRAB9AMEN1NPC1
SCHEMBL6617082 0.92 TERT (0.36) MAPK14TERTRAB9AMEN1NPC1
SCHEMBL6614631 0.92 SMN1; SMN2 (0.41) MAPK14RAB9AMEN1NPC1KMT2A
SCHEMBL6620495 0.91 MAPK14 (0.39) MAPK14RAB9AMEN1NPC1KMT2A
SCHEMBL6616130 0.89 ASAH1 (0.38) RAB9AMEN1NPC1KMT2AHPGD
SCHEMBL6602660 0.88 TERT (0.36) TERTRAB9AMEN1NPC1KMT2A
SCHEMBL6674746 0.88 MAPK14 (0.38) MAPK14RAB9AMEN1NPC1KMT2A
SCHEMBL6616878 0.87 KMT2A (0.38) RAB9AMEN1NPC1KMT2AGAA
SCHEMBL6618192 0.87 NAMPT (0.36) RAB9AMEN1NPC1KMT2AHPGD

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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