SCHEMBL9516840

SCHEMBL9516840

CSc1nc2sccn2c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
PTGS1 P23219 2/20 0.41
PTGS2 P35354 2/20 0.41
ALOX15 P16050 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 1/20 0.40
CHEK1 O14757 1/20 0.40
LIMK1 P53667 1/20 0.40
DYRK1A Q13627 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALOX12 P18054 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL9517362 0.80 MAPK1 (0.71) MAPK1KDM4EHPGDALDH1A1SMN1; SMN2
SCHEMBL28786488 0.71 MAPK1 (0.46) MAPK1ALOX15KDM4EHPGDCYP1A2
SCHEMBL22761661 0.70 HSD17B10 (0.59) PTGS1PTGS2HSD17B10
SCHEMBL26054623 0.68 MAPK1 (0.40) MAPK1ALOX15KDM4EHPGDCYP1A2
SCHEMBL2865146 0.67 CSNK1E (0.41) SMN1; SMN2
SCHEMBL9516847 0.67 MAPK1 (0.59) MAPK1ALOX15CYP1A2TDP1ALOX12
SCHEMBL6891152 0.67 KDM4E (0.38) MAPK1PTGS1PTGS2KDM4EHPGD
SCHEMBL12357158 0.66 TDP1 (0.47) MAPK1ALOX15KDM4EHPGDCYP1A2
SCHEMBL22761663 0.65 HSD17B10 (0.44) PTGS1PTGS2HSD17B10
Hydrochloric Acid SCHEMBL2246808 0.65 TDP1 (0.46) MAPK1ALOX15KDM4EHPGDCYP1A2

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