SCHEMBL6161599

SCHEMBL6161599

COC(=O)c1c(NC(=O)Nc2ccc(OCCc3ccc(OC)c(OC)c3)c3ccccc23)cc(C(C)(C)C)n1C

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.58
RAF1 P04049 1/20 0.49
MAPK12 P53778 8/20 0.46
HCK P08631 6/20 0.46
TNF P01375 1/20 0.46
MAPK13 O15264 1/20 0.44
MAPK11 Q15759 1/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL6161581 0.81 MAPK14 (0.66) MAPK14RAF1MAPK12HCKTNF
SCHEMBL6164402 0.80 RAF1 (0.54) MAPK14RAF1MAPK12MAPK13MAPK11
SCHEMBL6164164 0.80 MAPK14 (0.58) MAPK14RAF1MAPK12HCKTNF
SCHEMBL6165244 0.80 MAPK14 (0.50) MAPK14RAF1MAPK12HCKTNF
SCHEMBL6162858 0.79 MAPK14 (0.56) MAPK14RAF1MAPK12HCKTNF
SCHEMBL5619419 0.79 MAPK14 (0.52) MAPK14MAPK12HCKTNFMAPK13
SCHEMBL6163708 0.79 GAA (0.46) MAPK14RAF1MAPK12HCKTNF
SCHEMBL7845936 0.78 MAPK14 (0.44) MAPK14MAPK12HCKTNFMAPK13
SCHEMBL6162917 0.77 MAPK14 (0.53) MAPK14RAF1MAPK12HCKTNF
SCHEMBL5619545 0.77 ALDH1A1 (0.46) MAPK14MAPK12HCKTNFMAPK13

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