SCHEMBL8095119

SCHEMBL8095119

C=CCNc1nc(-c2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)cc1C#N

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PTGS2 P35354 17/20 0.47
PTGS1 P23219 3/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL8086911 0.90 HPGD (0.45) HPGDKDM4EALDH1A1LMNATDP1
SCHEMBL8094067 0.84 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL8099266 0.83 PTGS2 (0.53) ALDH1A1PTGS2PTGS1
SCHEMBL8101771 0.83 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL8085292 0.82 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL8094729 0.82 PTGS2 (0.49) HPGDKDM4EALDH1A1LMNATDP1
SCHEMBL8099373 0.82 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL8093657 0.82 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL8101829 0.82 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL8095596 0.81 PTGS2 (0.46) ALDH1A1LMNAPTGS2PTGS1

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 3 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 disclosed
US-5916905-A ANTIARTHRITIC AGENTS; ANALGESICS; ANTIPYRETICS G. D. SEARLE & CO. (US) 1999-06-29 US disclosed
US-5686470-A 2, 3-substituted pyridines for the treatment of inflammation WEIER RICHARD M (US) 1997-11-11 US disclosed