SCHEMBL6162251

SCHEMBL6162251

COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(OC(C)CN2CCOCC2)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 13/20 0.52
MAPK14 Q16539 12/20 0.51
MAPK13 O15264 3/20 0.51
MAPK12 P53778 3/20 0.51
MAPK11 Q15759 3/20 0.51
TNF P01375 1/20 0.45

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
SCHEMBL6162842 0.86 MAPK14 (0.65) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL6163086 0.85 MAPK14 (0.50) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL6162128 0.84 RAF1 (0.55) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL6165331 0.82 MAPK14 (0.54) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL5618844 0.82 MAPK14 (0.65) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL6163007 0.81 RAF1 (0.51) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL6164566 0.79 RAF1 (0.52) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL4092461 0.78 MAPK14 (0.69) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL6162643 0.77 MAPK14 (0.64) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL6163999 0.77 MAPK14 (0.64) RAF1MAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1163236-B1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMA (US) 2005-11-09 EP disclosed
US-6476023-B1 Aromatic heterocyclic compounds as anti-inflammatory agents BOEHRINGEN INGELHEIM PHARMACEUTICALS, INC. 2002-11-05 US disclosed
EP-1163236-A1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2001-12-19 EP disclosed
US-6297381-B1 INHIBIT THE RELEASE OF INFLAMMATORY CYTOKINES SUCH AS INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR, UREAS OR THIOUREAS SUBSTITUTED BY A PYRROLE OR THIOPHENE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-10-02 US disclosed
WO-2000055152-A1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-09-21 WO disclosed