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SCHEMBL4949065

SCHEMBL4949065

COc1ccc(C(C)(C)C)cc1NC(=O)C(=O)c1ccc(Nc2ccnc(C)c2)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 12/20 0.57
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ GSK3A P49840 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SCARB1 Q8WTV0 3/20 0.42

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
SCHEMBL4410951 0.90 MAPK14 (0.55) MAPK14KDM4EALDH1A1MAPTHPGD
SCHEMBL4948573 0.86 MAPK14 (0.52) MAPK14GSK3ASCARB1
SCHEMBL4955593 0.85 MAPK14 (0.51) MAPK14KDM4EALDH1A1MAPTHPGD
SCHEMBL4949801 0.85 MAPK14 (0.53) MAPK14KDM4EALDH1A1MAPTHPGD
SCHEMBL4949388 0.85 MAPK14 (0.51) MAPK14KDM4EALDH1A1MAPTHPGD
SCHEMBL4949392 0.84 MAPK14 (0.52) MAPK14KDM4EALDH1A1MAPTHPGD
SCHEMBL1599878 0.84 MAPK14 (0.63) MAPK14SCARB1
SCHEMBL4948529 0.83 MAPK14 (0.82) MAPK14GSK3ASCARB1
SCHEMBL1599651 0.82 MAPK14 (0.73) MAPK14KDM4EALDH1A1MAPTHPGD
SCHEMBL1600554 0.82 MAPK14 (0.57) MAPK14KDM4EALDH1A1MAPTHPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008089034-A2 CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-07-24 — — WO disclosed