SCHEMBL9517372

SCHEMBL9517372

CCOC(=S)c1c(C)nc2sccn12

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.72
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
CYP1A2 P05177 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL8229890 0.86 MAPK1 (0.57) MAPK1ALOX15ALOX12RXFP1KDM4E
SCHEMBL9516847 0.80 MAPK1 (0.59) MAPK1ALOX15ALOX12CYP1A2TDP1
SCHEMBL953600 0.78 MAPK1 (0.57) MAPK1ALOX15ALOX12CYP1A2TDP1
SCHEMBL10514007 0.76 MAPK1 (0.66) MAPK1ALOX15RXFP1CYP1A2TDP1
SCHEMBL269695 0.74 MAPK1 (0.65) MAPK1ALOX15ALOX12CYP1A2TDP1
SCHEMBL2338659 0.74 MAPK1 (0.65) MAPK1ALOX15ALOX12CYP1A2TDP1
SCHEMBL10512497 0.74 MAPK1 (0.64) MAPK1ALOX15ALOX12CYP1A2TDP1
SCHEMBL951841 0.73 MAPK1 (0.63) MAPK1ALOX15ALOX12CYP1A2TDP1
SCHEMBL12012125 0.73 MAPK1 (0.62) MAPK1ALOX15ALOX12CYP1A2TDP1
SCHEMBL23783453 0.72 MAPK1 (0.70) MAPK1ALOX15RXFP1CYP1A2KDM4E

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