SCHEMBL8985394

SCHEMBL8985394

CSc1ccc(-c2cc(CN(C)C)sc2-c2ccc(F)c(F)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.37
SLC6A4 P31645 10/20 0.36
SLC6A2 P23975 5/20 0.36
SLC6A3 Q01959 5/20 0.36
EP300 Q09472 3/20 0.34
PTGS2 P35354 1/20 0.33
MAPK14 Q16539 1/20 0.32
HTR2A P28223 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL8985341 0.88 EP300 (0.41) PTGS1SLC6A4SLC6A2SLC6A3EP300
SCHEMBL8985538 0.87 PTGS1 (0.51) PTGS1SLC6A4SLC6A2SLC6A3EP300
Hydrochloric Acid SCHEMBL8985440 0.86 PTGS1 (0.50) PTGS1SLC6A4SLC6A2SLC6A3EP300
SCHEMBL8985236 0.85 SLC6A4 (0.43) PTGS1SLC6A4SLC6A2SLC6A3EP300
SCHEMBL8985480 0.83 SLC6A4 (0.43) PTGS1SLC6A4SLC6A2SLC6A3EP300
SCHEMBL8985455 0.80 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3EP300PTGS2
Hydrochloric Acid SCHEMBL8985508 0.80 PTGS2 (0.53) PTGS1PTGS2CYP1A2CYP2C9CYP2C19
SCHEMBL8985223 0.77 PTGS2 (0.50) PTGS1EP300PTGS2MAPK14CYP1A2
SCHEMBL8985346 0.77 PTGS1 (0.48) PTGS1SLC6A4SLC6A2SLC6A3EP300
SCHEMBL8985416 0.76 NPC1 (0.40) 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