SCHEMBL9517798

SCHEMBL9517798

CC(=O)c1c(C)nn2c(C)csc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 4/20 0.39
KMT2A Q03164 1/20 0.39
CHEK1 O14757 1/20 0.39
MET P08581 1/20 0.39
LTK P29376 1/20 0.39
CDK9 P50750 1/20 0.39
PRKX P51817 1/20 0.39
LRRK2 Q5S007 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
KDM4E B2RXH2 4/20 0.37
MAPT P10636 3/20 0.36
TSHR P16473 2/20 0.36
CASP1 P29466 1/20 0.36
ALOX15 P16050 2/20 0.36
HPGD P15428 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
POLB P06746 1/20 0.32
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 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
SCHEMBL953097 0.69 ALDH1A1 (0.42) ALDH1A1HSD17B10KMT2AKDM4EMAPT
SCHEMBL1613433 0.66 HSD17B10 (0.36) ALDH1A1HSD17B10KMT2AKDM4ERXFP1
SCHEMBL8800817 0.64 HSD17B10 (0.36) ALDH1A1HSD17B10KMT2AKDM4EMAPT
SCHEMBL9520728 0.63 CHEK1 (0.36) ALDH1A1HSD17B10CHEK1METLTK
SCHEMBL6895462 0.62 ALOX15 (0.39) ALDH1A1KDM4EMAPTALOX15HPGD
SCHEMBL8261357 0.61 L3MBTL1 (0.56) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL335081 0.59 KDM4E (0.60) ALDH1A1HSD17B10KMT2AKDM4EMAPT
SCHEMBL15745362 0.58 ALDH1A1 (0.44) ALDH1A1HSD17B10KMT2AKDM4EMAPT
SCHEMBL7457886 0.58 ALDH1A1 (0.56) ALDH1A1HSD17B10KMT2AKDM4EMAPT
SCHEMBL14269336 0.57 KDM4E (0.43) ALDH1A1HSD17B10KMT2ALTKCDK9

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