SCHEMBL8985493

SCHEMBL8985493

CSc1ccc(-c2cc(Br)sc2-c2ccc(N(C)C=O)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.41
PTGS2 P35354 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MT-CO1 P00395 1/20 0.41
MT-CO2 P00403 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.30
NOX1 Q9Y5S8 1/20 0.30
UBE2N P61088 1/20 0.30
NPC1 O15118 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL8985463 0.85 PTGS1 (0.35) PTGS1PTGS2ALDH1A1L3MBTL1NOX1
SCHEMBL8985322 0.82 PTGS2 (0.33) PTGS1PTGS2
SCHEMBL8985338 0.82 MAPK14 (0.46) PTGS1PTGS2L3MBTL1NOX1UBE2N
SCHEMBL8985262 0.81 PTGS2 (0.65) PTGS1PTGS2KDM4EMT-CO1MT-CO2
SCHEMBL8985449 0.81 OPRD1 (0.38) PTGS1PTGS2L3MBTL1NOX1UBE2N
SCHEMBL8985332 0.81 PTGS1 (0.43) PTGS1PTGS2KDM4EMT-CO1MT-CO2
SCHEMBL8985514 0.79 PTGS2 (0.42) PTGS1PTGS2KDM4EMT-CO1MT-CO2
SCHEMBL10567533 0.77 PTGS2 (0.62) PTGS1PTGS2KDM4EMT-CO1MT-CO2
SCHEMBL6050634 0.77 PTGS2 (0.62) PTGS1PTGS2KDM4EMT-CO1MT-CO2
SCHEMBL8985540 0.77 PTGS2 (0.45) PTGS1PTGS2KDM4EMT-CO1MT-CO2

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 2 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