SCHEMBL9517836

SCHEMBL9517836

COc1cc(N=C=S)nc(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
MIF P14174 2/20 0.36
PDE2A O00408 1/20 0.36
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 2/20 0.34
APLNR P35414 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
CYP1A1 P04798 3/20 0.32
CYP1B1 Q16678 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 2/20 0.32
CYP1A2 P05177 2/20 0.31
CYP2A6 P11509 2/20 0.31
CYP2E1 P05181 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C8 P10632 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP4B1 P13584 1/20 0.31

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
SCHEMBL3401912 0.73 ALDH1A1 (0.56) L3MBTL1PDE2AALDH1A1KDM4ENPC1
SCHEMBL9877006 0.73 L3MBTL1 (0.47) L3MBTL1MIFPDE2AALDH1A1KDM4E
SCHEMBL14058771 0.71 PLAU (0.56) MIFKDM4EAPLNRNPC1RAB9A
SCHEMBL29452983 0.71 ALDH1A1 (0.53) L3MBTL1PDE2AALDH1A1KDM4ENPC1
SCHEMBL558482 0.69 APLNR (0.38) L3MBTL1MIFALDH1A1KDM4EAPLNR
SCHEMBL1021008 0.69 ALDH1A1 (0.50) MIFALDH1A1KDM4ECYP1A1CYP1B1
SCHEMBL10394269 0.68 L3MBTL1 (0.39) L3MBTL1PDE2AALDH1A1APLNRSMN1; SMN2
SCHEMBL23804264 0.67 APLNR (0.39) MIFKDM4EAPLNR
SCHEMBL29696296 0.67 APLNR (0.42) MIFAPLNR
SCHEMBL1868513 0.67 APLNR (0.42) MIFAPLNR

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