SCHEMBL8094698

SCHEMBL8094698

COc1ccc(CSc2nc(-c3ccc(F)cc3)c(-c3ccc(S(C)(=O)=O)cc3)cc2C#N)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.53
MAPK12 P53778 1/20 0.53
MAPK11 Q15759 1/20 0.53
MAPK14 Q16539 1/20 0.53
PTGS2 P35354 5/20 0.50
PTGS1 P23219 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 2/20 0.42
MAOB P27338 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.41
SQOR Q9Y6N5 1/20 0.41
CNR1 P21554 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL8092804 0.93 MAPK13 (0.59) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL8094384 0.84 MAPK13 (0.47) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL8101056 0.84 CNR1 (0.61) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL8087346 0.83 MAPK13 (0.48) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL8101739 0.83 MAPK13 (0.54) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL8086624 0.80 PTGS2 (0.56) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL8085735 0.80 PTGS2 (0.52) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL8095596 0.80 PTGS2 (0.46) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL8099392 0.80 PTGS2 (0.50) MAPK13MAPK12MAPK11MAPK14PTGS2
SCHEMBL215205 0.79 PTGS2 (0.53) PTGS2PTGS1SQORCNR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0808304-B1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2000-12-27 EP claimed
EP-0808304-B1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2000-12-27 EP disclosed
US-5916905-A ANTIARTHRITIC AGENTS; ANALGESICS; ANTIPYRETICS G. D. SEARLE & CO. (US) 1999-06-29 US disclosed
EP-0808304-A1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-11-26 EP disclosed
US-5686470-A 2, 3-substituted pyridines for the treatment of inflammation WEIER RICHARD M (US) 1997-11-11 US disclosed
WO-1996024584-A1 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-15 WO disclosed