SCHEMBL8985278

SCHEMBL8985278

CSc1ccc(-c2cc(CN3CCCC3)sc2-c2ccc(F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.47
PTGS2 P35354 3/20 0.46
MAPK14 Q16539 2/20 0.40
EP300 Q09472 1/20 0.36

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
Hydrochloric Acid SCHEMBL8985261 0.81 PTGS2 (0.62) PTGS1PTGS2
SCHEMBL8985550 0.80 PTGS1 (0.54) PTGS1PTGS2MAPK14EP300
SCHEMBL8985538 0.78 PTGS1 (0.51) PTGS1PTGS2MAPK14EP300
SCHEMBL8985311 0.78 PTGS1 (0.51) PTGS1PTGS2MAPK14EP300
Hydrochloric Acid SCHEMBL8985440 0.77 PTGS1 (0.50) PTGS1PTGS2MAPK14EP300
SCHEMBL8985330 0.76 PTGS1 (0.49) PTGS1PTGS2MAPK14
SCHEMBL8985246 0.76 PTGS1 (0.49) PTGS1PTGS2MAPK14EP300
SCHEMBL8985346 0.75 PTGS1 (0.48) PTGS1PTGS2MAPK14EP300
SCHEMBL8985175 0.73 PTGS1 (0.46) PTGS1PTGS2MAPK14EP300
SCHEMBL10567533 0.72 PTGS2 (0.62) PTGS1PTGS2MAPK14

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
US-5571810-A ANTIINFLAMMATORY AGENTS, ANALGESICS, COLLAGEN DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-05 US disclosed
EP-0593761-A1 NEW THIOPHENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP disclosed
WO-1991019708-A1 NEW THIOPHENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-26 WO disclosed