SCHEMBL9517831

SCHEMBL9517831

CCc1nc2ccccn2c1C(O)=S

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 5/20 0.46
HSD17B10 Q99714 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 6/20 0.44
GAA P10253 4/20 0.44
HTT P42858 1/20 0.43
PLAU P00749 1/20 0.43
NPC1 O15118 1/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 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
SCHEMBL12294560 0.84 MAPK1 (0.54) MAPK1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL9518838 0.82 MAPK1 (0.56) MAPK1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL2265406 0.82 MAPK1 (0.51) MAPK1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL13081115 0.77 KDM4E (0.49) MAPK1KDM4EHSD17B10NPSR1KMT2A
SCHEMBL12295364 0.77 MAPK1 (0.75) MAPK1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL12294561 0.76 KDM4E (0.58) SMN1; SMN2CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL13144236 0.75 KDM4E (0.50) MAPK1SMN1; SMN2KDM4EHSD17B10NPSR1
SCHEMBL6491851 0.75 KDM4E (0.50) MAPK1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL18629834 0.75 MAPK1 (0.50) MAPK1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL23655844 0.74 SMN1; SMN2 (0.46) MAPK1SMN1; SMN2CYP1A2CYP2C9CYP2C19

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