SCHEMBL8985346

SCHEMBL8985346

CCN(C)Cc1cc(-c2ccc(SC)cc2)c(-c2ccc(F)cc2)s1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.48
PTGS2 P35354 7/20 0.41
MAPK14 Q16539 6/20 0.41
EP300 Q09472 1/20 0.40
GCGR P47871 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MT-CO1 P00395 1/20 0.36
MT-CO2 P00403 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 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
SCHEMBL8985175 0.91 PTGS1 (0.46) PTGS1PTGS2MAPK14EP300GCGR
SCHEMBL8985330 0.89 PTGS1 (0.49) PTGS1PTGS2MAPK14GCGRKDM4E
SCHEMBL8985538 0.89 PTGS1 (0.51) PTGS1PTGS2MAPK14EP300GCGR
Hydrochloric Acid SCHEMBL8985440 0.88 PTGS1 (0.50) PTGS1PTGS2MAPK14EP300GCGR
SCHEMBL8985341 0.82 EP300 (0.41) PTGS1PTGS2MAPK14EP300SLC6A2
SCHEMBL8985550 0.81 PTGS1 (0.54) PTGS1PTGS2MAPK14EP300GCGR
Hydrochloric Acid SCHEMBL8985487 0.80 PTGS2 (0.64) PTGS1PTGS2KDM4EMT-CO1MT-CO2
SCHEMBL8985433 0.79 PTGS2 (0.42) PTGS1PTGS2MAPK14EP300KDM4E
SCHEMBL8985246 0.79 PTGS1 (0.49) PTGS1PTGS2MAPK14EP300GCGR
SCHEMBL8985223 0.79 PTGS2 (0.50) PTGS1PTGS2MAPK14EP300KDM4E

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 1 patent. 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