SCHEMBL7572980

SCHEMBL7572980

COC(=O)c1ccc(SC)cc1SC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.47
HPGD P15428 5/20 0.46
ALDH1A1 P00352 4/20 0.46
POLB P06746 2/20 0.46
L3MBTL1 Q9Y468 5/20 0.45
TSHR P16473 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
HSD17B10 Q99714 2/20 0.45
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL22067296 0.84 NR4A2 (0.49) GAASMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL3152318 0.82 CA12 (0.62) GAASMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL17504939 0.81 NR4A2 (0.49) GAASMN1; SMN2RAB9AKDM4EMAPT
SCHEMBL12765794 0.81 GAA (0.48) GAASMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL3139456 0.81 KDM4E (0.50) GAASMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL7574358 0.81 GAA (0.48) GAASMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL6492188 0.81 ALDH1A1 (0.62) GAASMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL11852003 0.79 MCL1 (0.47) GAASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL30004019 0.79 MCL1 (0.47) GAASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL2847891 0.79 MCL1 (0.47) GAASMN1; SMN2NPC1RAB9AKDM4E

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-0609798-B1 4-Benzoyl isoxazoles and their use as herbicides AVENTIS AGRICULTURE LTD (GB) 2002-10-02 EP disclosed
US-5374606-A Pre- and postemergence RHONE-POULENC AGRICULTURE LIMITED (GB) 1994-12-20 US disclosed
EP-0609798-A1 4-Benzoyl isoxazoles and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-08-10 EP disclosed