SCHEMBL8985245

SCHEMBL8985245

CN(C)CCNC(=O)c1cc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)s1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.54
PTGS1 P23219 3/20 0.53
KDM4E B2RXH2 2/20 0.53
HPGD P15428 2/20 0.53
MT-CO1 P00395 1/20 0.53
MT-CO2 P00403 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MAPK14 Q16539 1/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
CA2 P00918 1/20 0.43

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
SCHEMBL8985283 0.86 PTGS2 (0.59) PTGS2PTGS1KDM4EHPGDMT-CO1
Dimethylamine SCHEMBL8985249 0.84 PTGS2 (0.57) PTGS2PTGS1KDM4EHPGDMT-CO1
SCHEMBL8985424 0.83 PTGS2 (0.56) PTGS2PTGS1KDM4EHPGDMT-CO1
SCHEMBL8985386 0.82 PTGS2 (0.63) PTGS2PTGS1KDM4EHPGDMT-CO1
SCHEMBL8985243 0.80 PTGS2 (0.57) PTGS2PTGS1KDM4EHPGDMT-CO1
SCHEMBL8985457 0.80 PTGS2 (0.63) PTGS2PTGS1KDM4EHPGDMT-CO1
SCHEMBL8985290 0.80 PTGS2 (0.63) PTGS2PTGS1KDM4EHPGDMT-CO1
SCHEMBL8985244 0.80 PTGS2 (0.62) PTGS2PTGS1KDM4EHPGDMT-CO1
SCHEMBL8985518 0.79 PTGS2 (0.64) PTGS2PTGS1KDM4EHPGDMT-CO1
SCHEMBL8985490 0.79 PTGS2 (0.67) PTGS2PTGS1KDM4EHPGDMT-CO1

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