SCHEMBL7844849

SCHEMBL7844849

Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(OCCc2ccncc2)c2ccccc12

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.82
MAPK12 P53778 12/20 0.82
HCK P08631 11/20 0.82
TNF P01375 2/20 0.82
SRC P12931 1/20 0.58

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
SCHEMBL6892709 0.92 MAPK14 (0.69) MAPK14MAPK12HCKTNFSRC
SCHEMBL29593358 0.90 MAPK14 (1.00) MAPK14MAPK12HCKTNFSRC
SCHEMBL295686 0.90 MAPK14 (1.00) MAPK14MAPK12HCKTNFSRC
SCHEMBL29593430 0.88 MAPK14 (0.85) MAPK14MAPK12HCKTNFSRC
SCHEMBL296491 0.88 MAPK14 (0.85) MAPK14MAPK12HCKTNFSRC
SCHEMBL13481445 0.87 MAPK14 (0.88) MAPK14MAPK12HCKTNFSRC
SCHEMBL295612 0.86 MAPK14 (0.92) MAPK14MAPK12HCKTNFSRC
SCHEMBL29594379 0.86 MAPK14 (0.92) MAPK14MAPK12HCKTNFSRC
SCHEMBL28471634 0.86 MAPK14 (0.80) MAPK14MAPK12HCKTNFSRC
SCHEMBL6243534 0.85 MAPK14 (0.83) MAPK14MAPK12HCKTNFSRC

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-1147104-A1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTIINFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2001-10-24 EP claimed
WO-2000043384-A1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTIINFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-07-27 WO claimed