SCHEMBL7464261

SCHEMBL7464261

CCOc1csc2ccc(C(=O)Cl)c(SC)c12

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 3/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP3A4 P08684 1/20 0.32
HCRTR1 O43613 2/20 0.31
GLA P06280 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TP53 P04637 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL7469824 0.88 TSHR (0.42) KMT2AKDM4ETSHRHSD17B10CYP3A4
Hydrochloric Acid SCHEMBL7464266 0.87 TSHR (0.41) KMT2AKDM4ETSHRHSD17B10CYP3A4
SCHEMBL7466592 0.86 CA12 (0.40) KMT2AKDM4EMAPTTSHRHSD17B10
SCHEMBL7462861 0.84 KMT2A (0.38) KMT2AKDM4EMAPTTSHRCYP3A4
SCHEMBL7465160 0.79 MAPT (0.33) KMT2AMAPTALDH1A1
SCHEMBL7476511 0.76 TSHR (0.40) KMT2AKDM4EMAPTTSHRHSD17B10
Hydrochloric Acid SCHEMBL7462872 0.75 TSHR (0.39) KMT2AKDM4EMAPTTSHRHSD17B10
SCHEMBL7467609 0.74
SCHEMBL7467904 0.74 CA12 (0.41) KMT2AKDM4EMAPTTSHRHSD17B10
SCHEMBL7469191 0.73 HCRTR2 (0.32)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636622-B1 Isoxazole derivatives and their use as herbicides AVENTIS AGRICULTURE LTD (GB) 2002-10-23 EP disclosed
EP-1160244-A1 Isoxazole derivatives and their use as herbicides RHONE-POULENC AGRICULTURE LIMITED (GB) 2001-12-05 EP disclosed
US-5489570-A PRE- OR POST-EMERGENCE RHONE-POULENC AGRICULTURE LIMITED (GB) 1996-02-06 US disclosed
EP-0636622-A1 Isoxazole derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1995-02-01 EP disclosed