SCHEMBL8985239

SCHEMBL8985239

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
OPRD1 P41143 1/20 0.45
MAPK14 Q16539 6/20 0.42
PTGS1 P23219 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTGS2 P35354 2/20 0.38
UBE2N P61088 1/20 0.38
LMNA P02545 1/20 0.38
BRD4 O60885 1/20 0.34
BRD9 Q9H8M2 1/20 0.34
EP300 Q09472 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
NOX1 Q9Y5S8 1/20 0.33

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
SCHEMBL8985209 0.94 SMN1; SMN2 (0.45) NPC1HPGDSMN1; SMN2OPRD1MAPK14
SCHEMBL8985323 0.94 MAPK14 (0.52) NPC1HPGDSMN1; SMN2OPRD1MAPK14
SCHEMBL8985495 0.94 MAPK14 (0.52) NPC1HPGDSMN1; SMN2OPRD1MAPK14
SCHEMBL8985230 0.91 OPRD1 (0.60) NPC1HPGDSMN1; SMN2OPRD1PTGS1
SCHEMBL8985416 0.89 NPC1 (0.40) NPC1HPGDSMN1; SMN2OPRD1MAPK14
SCHEMBL8985265 0.85 SMN1; SMN2 (0.45) NPC1HPGDSMN1; SMN2MAPK14PTGS1
SCHEMBL8985360 0.84 MAPK14 (0.40) NPC1HPGDSMN1; SMN2MAPK14PTGS1
SCHEMBL8985541 0.84 MAPK14 (0.56) NPC1HPGDOPRD1MAPK14PTGS1
SCHEMBL8985467 0.82 MAPK14 (0.60) NPC1HPGDSMN1; SMN2OPRD1MAPK14
SCHEMBL8985272 0.81 MAPK14 (0.52) NPC1SMN1; SMN2OPRD1MAPK14PTGS1

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