SCHEMBL6162559

SCHEMBL6162559

COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(OCCn2ccnc2)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.61
MAPK12 P53778 2/20 0.61
TNF P01375 1/20 0.61
HCK P08631 1/20 0.61
RAF1 P04049 16/20 0.53
MAPK13 O15264 1/20 0.51
MAPK11 Q15759 1/20 0.51

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
SCHEMBL6163294 0.84 MAPK14 (0.61) MAPK14MAPK12TNFHCKRAF1
SCHEMBL6164616 0.83 MAPK14 (0.58) MAPK14MAPK12TNFHCKRAF1
SCHEMBL6161327 0.82 MAPK14 (0.61) MAPK14MAPK12TNFHCKRAF1
SCHEMBL6163117 0.81 RAF1 (0.56) MAPK14MAPK12RAF1MAPK13MAPK11
SCHEMBL6162842 0.81 MAPK14 (0.65) MAPK14MAPK12TNFHCKRAF1
SCHEMBL6161905 0.80 MAPK14 (0.51) MAPK14MAPK12TNFHCKRAF1
SCHEMBL7829896 0.80 RAF1 (0.52) MAPK14MAPK12RAF1MAPK13MAPK11
SCHEMBL6164402 0.78 RAF1 (0.54) MAPK14MAPK12RAF1MAPK13MAPK11
SCHEMBL5618381 0.78 MAPK14 (0.59) MAPK14MAPK12TNFHCKMAPK13
SCHEMBL6164566 0.77 RAF1 (0.52) MAPK14MAPK12TNFHCKRAF1

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 4 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 claimed
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
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