SCHEMBL9520546

SCHEMBL9520546

CCOC(=O)c1c(SCc2ccc(OC)cc2)nc2sccn12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.56
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 1/20 0.44
FFAR1 O14842 1/20 0.44
MAPT P10636 3/20 0.41
TP53 P04637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSP90AA1 P07900 1/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 2/20 0.40
IDO1 P14902 1/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL8229886 0.82 MAPK1 (0.69) MAPK1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL9517362 0.78 MAPK1 (0.71) MAPK1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL952278 0.73 MAPK1 (1.00) MAPK1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL10595807 0.73 DAO (0.49) MAPK1NPC1SMN1; SMN2TSHRFFAR1
SCHEMBL9517850 0.73 PPARG (0.45) MAPK1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL20181585 0.70 MAPK1 (0.48) MAPK1NPC1RAB9AHTTSMN1; SMN2
SCHEMBL8812585 0.70 MAPK1 (0.72) MAPK1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL22627475 0.70 MAPK1 (0.60) MAPK1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL31214441 0.69 GAA (0.46) MAPK1NPC1HTTSMN1; SMN2TSHR
SCHEMBL2827309 0.69 MAPK1 (0.71) MAPK1NPC1RAB9ASMN1; SMN2TP53

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
EP-0238070-B1 Sulfonylurea compounds, their production and herbicidal use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-12-29 EP disclosed
US-5017212-A For rice paddies TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-05-21 US disclosed
EP-0238070-A2 Sulfonylurea compounds, their production and herbicidal use Takeda Chemical Industries, Ltd. (JP) 1987-09-23 EP disclosed