SCHEMBL6616688

SCHEMBL6616688

CCC(C)NC(=O)n1nc(-c2cc(NC(=O)CC(C)C)ccc2O)cc1C1CCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 1/20 0.37
▸ KDM4E B2RXH2 4/20 0.36
▸ GAA P10253 4/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ ANO1 Q5XXA6 1/20 0.35
▸ RXFP1 Q9HBX9 2/20 0.35
▸ KDM5A P29375 1/20 0.34
▸ KDM4D Q6B0I6 1/20 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
SCHEMBL6617536 0.95 AAK1 (0.40) AAK1KDM4EGAAALDH1A1SMN1; SMN2
SCHEMBL6618615 0.93 AAK1 (0.40) AAK1KDM4EGAAALDH1A1SMN1; SMN2
SCHEMBL6619728 0.91 AAK1 (0.41) AAK1KDM4EGAAALDH1A1SMN1; SMN2
SCHEMBL6621197 0.90 KDM5A (0.41) KDM4EALDH1A1RAB9AHPGDMEN1
SCHEMBL6616939 0.90 ALDH1A1 (0.39) AAK1KDM4EGAAALDH1A1SMN1; SMN2
SCHEMBL6615986 0.89 KMT2A (0.40) GAAMEN1KMT2ATSHRLMNA
SCHEMBL6616791 0.86 MAPK14 (0.40) AAK1KDM4EGAAALDH1A1SMN1; SMN2
SCHEMBL6618662 0.86 KMT2A (0.38) AAK1KDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL6619183 0.86 NAMPT (0.40) ALDH1A1SMN1; SMN2RAB9AMEN1NPC1
SCHEMBL6620400 0.85 AAK1 (0.41) AAK1KDM4EGAAALDH1A1SMN1; 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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