SCHEMBL8985295

SCHEMBL8985295

CS(=O)(=O)c1ccc(-c2cc(Br)sc2-c2ccc(NC=O)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.67
PTGS1 P23219 2/20 0.67
KDM4E B2RXH2 1/20 0.67
MT-CO1 P00395 1/20 0.67
MT-CO2 P00403 1/20 0.67
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2C9 P11712 1/20 0.67
HPGD P15428 1/20 0.67
TSHR P16473 1/20 0.67
CYP2C19 P33261 1/20 0.67
HSD17B10 Q99714 1/20 0.67
LMNA P02545 1/20 0.40

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
SCHEMBL8985260 0.86 PTGS2 (0.65) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985413 0.86 PTGS2 (0.71) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985514 0.81 PTGS2 (0.42) PTGS2PTGS1KDM4EMT-CO1MT-CO2
Dup-697 SCHEMBL1041241 0.80 PTGS2 (1.00) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL10567845 0.80 PTGS2 (1.00) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985314 0.80 PTGS2 (0.75) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985262 0.79 PTGS2 (0.65) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985340 0.77 PTGS2 (0.70) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985434 0.77 MAPK14 (0.52) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8537484 0.76 LMNA (0.63) PTGS2LMNA

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