SCHEMBL6677796

SCHEMBL6677796

Cc1ccc(CNC(=O)n2nc(-c3ccc(NC(=O)CC(C)C)cc3O)cc2C2CCC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ AAK1 Q2M2I8 1/20 0.36
▸ HPGD P15428 2/20 0.36
▸ USP2 O75604 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ LMNA P02545 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
SCHEMBL6618080 0.98 GAA (0.37) MAPK14GAAALDH1A1MAPTSMN1; SMN2
SCHEMBL6619687 0.97 GAA (0.38) MAPK14GAAALDH1A1MAPTSMN1; SMN2
SCHEMBL6674746 0.95 MAPK14 (0.38) MAPK14GAAALDH1A1MAPTSMN1; SMN2
SCHEMBL6616341 0.93 HPGD (0.43) MAPK14GAAALDH1A1SMN1; SMN2POLB
SCHEMBL6617191 0.92 SMN1; SMN2 (0.41) MAPK14GAAALDH1A1MAPTSMN1; SMN2
SCHEMBL6620495 0.92 MAPK14 (0.39) MAPK14GAAALDH1A1MAPTSMN1; SMN2
SCHEMBL6615813 0.91 MEN1 (0.40) ALDH1A1MAPTSMN1; SMN2POLBHPGD
SCHEMBL6615563 0.91 TERT (0.36) MAPK14GAAALDH1A1MAPTSMN1; SMN2
SCHEMBL6675449 0.91 HPGD (0.43) GAAALDH1A1SMN1; SMN2POLBAAK1
SCHEMBL6616445 0.91 SMN1; SMN2 (0.41) MAPK14GAAALDH1A1MAPTSMN1; 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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