SCHEMBL6585945

SCHEMBL6585945

COC(=O)c1ccc(S(C)(=O)=O)c(-c2cc(C)no2)c1C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 2/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
TP53 P04637 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
VCAM1 P19320 1/20 0.36
EDNRA P25101 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL5704533 0.88 LMNA (0.48) KMT2ANPC1KDM4EUSP2ALDH1A1
SCHEMBL8135182 0.88 MEN1 (0.41) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL6587430 0.86 ALDH1A1 (0.50) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL6587396 0.85 KDM4E (0.40) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL5704574 0.83 ALDH1A1 (0.43) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL5704571 0.79 KDM4E (0.39) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL8137249 0.77 KDM4E (0.39) KMT2AKDM4EUSP2ALDH1A1TSHR
SCHEMBL8135897 0.77 ALDH1A1 (0.48) KMT2AMEN1KDM4EUSP2ALDH1A1
SCHEMBL4697806 0.77 GAA (0.48) NPC1RAB9AKDM4EALDH1A1TP53
SCHEMBL2298799 0.76 KDM4E (0.33) KMT2AMEN1NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0900795-B1 BENZENE DERIVATIVES SUBSTITUTED BY HETEROCYCLES AND HERBICIDES NIPPON SODA CO (JP) 2004-04-21 EP disclosed
US-6100421-A METHYL 3-FORMYL-4-METHANESULFONYL-2-METHYLBENZOATE, USEFUL AS A STARTING MATERIAL FOR HERBICIDE MANUFACTURE NIPPON SODA CO., LTD. (JP) 2000-08-08 US disclosed
US-5939360-A HERBICIDES WITH HYDROXYPYRAZOLEISOOXAZOLE KETONES NIPPON SODA CO., LTD. (JP) 1999-08-17 US disclosed
CN-1216543-A Heterocyclic substituted benzene derivatives and herbicides NIPPON SODA CO (JP) 1999-05-12 CN disclosed
EP-0900795-A1 BENZENE DERIVATIVES SUBSTITUTED BY HETEROCYCLES AND HERBICIDES NIPPON SODA CO., LTD. (JP) 1999-03-10 EP disclosed
EP-0894792-A1 HETEROCYCLE-SUBSTITUTED BENZENE DERIVATIVES AND HERBICIDES NIPPON SODA CO., LTD. (JP) 1999-02-03 EP disclosed