SCHEMBL6674746

SCHEMBL6674746

Cc1ccc(CNC(=O)n2nc(-c3cc(NC(=O)CC(C)C)ccc3O)cc2C2CCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 2/20 0.38
▸ GAA P10253 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ USP2 O75604 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ PKM P14618 2/20 0.34

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
SCHEMBL6620495 0.97 MAPK14 (0.39) MAPK14GAAALDH1A1MAPTSMN1; SMN2
SCHEMBL6677796 0.95 MAPK14 (0.37) MAPK14GAAALDH1A1MAPTSMN1; SMN2
SCHEMBL6618080 0.94 GAA (0.37) MAPK14GAAALDH1A1MAPTSMN1; SMN2
SCHEMBL6623993 0.93 HPGD (0.41) MAPK14GAAALDH1A1SMN1; SMN2POLB
SCHEMBL6619687 0.92 GAA (0.38) MAPK14GAAALDH1A1MAPTSMN1; SMN2
SCHEMBL6619302 0.91 MAPK14 (0.36) MAPK14GAAALDH1A1MAPTSMN1; SMN2
SCHEMBL6618845 0.91 HPGD (0.39) MAPK14ALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL6620401 0.90 HRH3 (0.39) MAPK14ALDH1A1MAPTKDM4EEPHX2
SCHEMBL6614631 0.89 SMN1; SMN2 (0.41) MAPK14GAAALDH1A1MAPTSMN1; SMN2
SCHEMBL6619748 0.89 ALDH1A1 (0.38) ALDH1A1MAPTSMN1; SMN2POLBUSP2

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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