SCHEMBL6616791

SCHEMBL6616791

CCNC(=O)n1nc(-c2cc(NC(=O)CC(C)C)ccc2O)cc1C1CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 2/20 0.40
▸ RAB9A P51151 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ AAK1 Q2M2I8 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ PTPN1 P18031 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 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
SCHEMBL6602796 0.94 AAK1 (0.40) MAPK14RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL6613489 0.93 MAPK14 (0.39) MAPK14RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL6604937 0.91 AAK1 (0.39) MAPK14RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL6614856 0.91 AAK1 (0.39) MAPK14RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL6616939 0.90 ALDH1A1 (0.39) MAPK14RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL6604908 0.89 GAA (0.38) MAPK14RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL6614631 0.89 SMN1; SMN2 (0.41) MAPK14RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL6620495 0.88 MAPK14 (0.39) MAPK14RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL6608277 0.87 AAK1 (0.39) MAPK14RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL6614350 0.87 ALDH1A1 (0.41) MAPK14RAB9ASMN1; SMN2ALDH1A1KDM4E

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
Send feedback