SCHEMBL8419785

SCHEMBL8419785

CCCCOc1nc(-c2ccc(OC)c(F)c2)cc(-c2ccc(S(N)(=O)=O)cc2)c1CO

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.53
PTGS1 P23219 13/20 0.53
CDK2 P24941 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
SCHEMBL8419437 0.89 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL8419782 0.88 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL8421109 0.86 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL8419783 0.84 CA2 (0.47) PTGS2PTGS1CDK2
SCHEMBL8419909 0.83 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL8095044 0.83 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL8423418 0.82 PTGS2 (0.44) PTGS2PTGS1CDK2
SCHEMBL8421302 0.81 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL8423494 0.80 PTGS2 (0.42) PTGS2PTGS1CDK2
SCHEMBL8419449 0.78 PTGS2 (0.48) PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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