SCHEMBL6161327

SCHEMBL6161327

COC(=O)c1[nH]c(C(C)(C)C)cc1NC(=O)Nc1ccc(OCCn2ccnc2)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.61
HCK P08631 3/20 0.61
MAPK12 P53778 3/20 0.61
TNF P01375 2/20 0.61
RAF1 P04049 2/20 0.48
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
MAPK13 O15264 1/20 0.43
MAPK11 Q15759 1/20 0.43
TBXAS1 P24557 1/20 0.42
CYP19A1 P11511 1/20 0.42

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
SCHEMBL6162634 0.83 MAPK14 (0.58) MAPK14HCKMAPK12TNFRAF1
SCHEMBL6163294 0.82 MAPK14 (0.61) MAPK14HCKMAPK12TNFRAF1
SCHEMBL6162559 0.82 MAPK14 (0.61) MAPK14HCKMAPK12TNFRAF1
SCHEMBL6166487 0.81 MAPK14 (0.60) MAPK14HCKMAPK12TNFRAF1
SCHEMBL6163450 0.81 MAPK14 (0.68) MAPK14HCKMAPK12TNFRAF1
SCHEMBL7830130 0.80 MAPK14 (0.56) MAPK14HCKMAPK12TNFRAF1
SCHEMBL6163449 0.80 TNF (0.60) MAPK14HCKMAPK12TNFRAF1
SCHEMBL6162733 0.80 MAPK14 (0.54) MAPK14HCKMAPK12TNFRAF1
SCHEMBL6163445 0.80 TNF (0.60) MAPK14HCKMAPK12TNFRAF1
SCHEMBL5618381 0.80 MAPK14 (0.59) MAPK14HCKMAPK12TNFLMNA

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