SCHEMBL6160912

SCHEMBL6160912

CNC(=O)c1[nH]c(C(C)(C)C)cc1NC(=O)Nc1ccc(OCCCc2ccncc2)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.56
MAPK12 P53778 10/20 0.53
HCK P08631 9/20 0.53
TNF P01375 1/20 0.53

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
SCHEMBL6162480 0.91 MAPK14 (0.59) MAPK14MAPK12HCKTNF
SCHEMBL6162634 0.86 MAPK14 (0.58) MAPK14MAPK12HCKTNF
SCHEMBL6161474 0.83 MAPK14 (0.63) MAPK14MAPK12HCKTNF
SCHEMBL6162921 0.83 MAPK14 (0.56) MAPK14MAPK12HCKTNF
SCHEMBL6164609 0.82 MAPK14 (0.53) MAPK14MAPK12HCKTNF
SCHEMBL6166487 0.81 MAPK14 (0.60) MAPK14MAPK12HCKTNF
SCHEMBL6164412 0.79 MAPK14 (0.55) MAPK14MAPK12HCKTNF
SCHEMBL6164974 0.79 MAPK14 (0.67) MAPK14MAPK12HCKTNF
SCHEMBL6163721 0.78 MAPK14 (0.53) MAPK14MAPK12HCKTNF
SCHEMBL6163983 0.78 TNF (0.60) MAPK14MAPK12HCKTNF

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