SCHEMBL6162064

SCHEMBL6162064

CNC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(OCCc2ccc(OC)c(OC)c2)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.52
RAF1 P04049 2/20 0.47
MAPK12 P53778 7/20 0.45
HCK P08631 6/20 0.45
TNF P01375 1/20 0.43
MAPK13 O15264 1/20 0.43
MAPK11 Q15759 1/20 0.43
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
SRC P12931 1/20 0.41
SYK P43405 1/20 0.41
GSK3A P49840 1/20 0.41

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
SCHEMBL6164402 0.92 RAF1 (0.54) MAPK14RAF1MAPK12MAPK13MAPK11
SCHEMBL6164609 0.83 MAPK14 (0.53) MAPK14RAF1MAPK12HCKTNF
SCHEMBL6163708 0.83 GAA (0.46) MAPK14RAF1MAPK12HCKTNF
SCHEMBL6162921 0.82 MAPK14 (0.56) MAPK14MAPK12HCKTNFMAPK13
SCHEMBL6162134 0.80 MAPK14 (0.52) MAPK14RAF1MAPK12HCKTNF
SCHEMBL6164616 0.80 MAPK14 (0.58) MAPK14RAF1MAPK12HCKTNF
SCHEMBL6163203 0.79 MAPK14 (0.47) MAPK14RAF1MAPK12HCKTNF
SCHEMBL7846308 0.79 MAPK14 (0.46) MAPK14RAF1MAPK12TNFMAPK13
SCHEMBL6162643 0.79 MAPK14 (0.64) MAPK14RAF1MAPK12HCKTNF
SCHEMBL5619419 0.78 MAPK14 (0.52) 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 9 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
JP-2002539206-A 2002-11-19 JP claimed
EP-1163236-A1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2001-12-19 EP claimed
WO-2000055152-A1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-09-21 WO 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
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