SCHEMBL8985238

SCHEMBL8985238

CNC(=O)c1cc(-c2ccc(SC)cc2)c(-c2ccc(OC)cc2)s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.63
EP300 Q09472 1/20 0.52
MAPT P10636 5/20 0.51
KDM4E B2RXH2 5/20 0.51
NPC1 O15118 4/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 2/20 0.51
GAA P10253 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
GLA P06280 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.50
UBE2N P61088 1/20 0.50
HTT P42858 2/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
POLB P06746 1/20 0.42
PLK1 P53350 3/20 0.41

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
SCHEMBL8985511 0.91 OPRD1 (0.74) OPRD1EP300MAPTKDM4ENPC1
SCHEMBL8985429 0.91 KDM4E (0.50) OPRD1EP300MAPTKDM4ENPC1
SCHEMBL8985273 0.86 OPRD1 (0.67) OPRD1EP300MAPTKDM4ENPC1
SCHEMBL8985533 0.86 OPRD1 (0.64) OPRD1EP300MAPTKDM4ENPC1
SCHEMBL8985326 0.85 MAPK14 (0.52) OPRD1MAPTKDM4ENPC1ALDH1A1
SCHEMBL8985276 0.85 OPRD1 (0.66) OPRD1EP300MAPTKDM4ENPC1
SCHEMBL8985425 0.85 MAPK14 (0.52) OPRD1MAPTKDM4ENPC1ALDH1A1
SCHEMBL8985488 0.85 ALDH1A1 (0.55) OPRD1EP300MAPTKDM4ENPC1
SCHEMBL8985230 0.83 OPRD1 (0.60) OPRD1EP300MAPTNPC1HPGD
SCHEMBL8985306 0.83 OPRD1 (0.60) OPRD1EP300MAPTNPC1SMN1; SMN2

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