SCHEMBL6587396

SCHEMBL6587396

Cc1cc(-c2c(S(C)(=O)=O)ccc(C(=O)Cl)c2C)on1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
TP53 P04637 5/20 0.36
LMNA P02545 2/20 0.35
CSF1R P07333 6/20 0.35
MAPT P10636 7/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
MAPK1 P28482 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL8137249 0.89 KDM4E (0.39) KDM4EUSP2ALDH1A1TSHRTP53
SCHEMBL6587430 0.88 ALDH1A1 (0.50) KDM4EUSP2ALDH1A1TSHRTP53
SCHEMBL6585945 0.85 KMT2A (0.43) KDM4EUSP2ALDH1A1TSHRTP53
SCHEMBL5704533 0.83 LMNA (0.48) KDM4EUSP2ALDH1A1TSHRTP53
SCHEMBL8135897 0.81 ALDH1A1 (0.48) KDM4EUSP2ALDH1A1TSHRTP53
SCHEMBL8135182 0.78 MEN1 (0.41) KDM4EUSP2ALDH1A1TSHRTP53
SCHEMBL2298799 0.78 KDM4E (0.33) KDM4EUSP2ALDH1A1TSHRTP53
SCHEMBL8134147 0.76 MEN1 (0.32) KDM4EUSP2ALDH1A1TSHRMAPT
SCHEMBL8135848 0.76 MEN1 (0.32) KDM4EUSP2ALDH1A1TSHRMAPT
SCHEMBL8135835 0.76 PIK3CD (0.35) KDM4EUSP2ALDH1A1TSHRTP53

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