SCHEMBL6582254

SCHEMBL6582254

COc1c(C)ccc(C(=O)SC)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 4/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTT P42858 3/20 0.34
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 2/20 0.34
CHRNA7 P36544 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
KDM4E B2RXH2 2/20 0.31
HPGD P15428 2/20 0.31
NNMT P40261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
IMPDH2 P12268 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
SCHEMBL8679249 0.80 HTT (0.32) SMN1; SMN2HTTRAB9A
SCHEMBL11218412 0.79 TDP1 (0.50) SMN1; SMN2LMNAMAPK1MAPTTDP1
SCHEMBL15775593 0.76 MAPT (0.51) MAPTTDP1ALDH1A1KMT2ACHRNA7
SCHEMBL6584597 0.76 ALDH1A1 (0.38) MAPK1MAPTTDP1ALDH1A1KMT2A
SCHEMBL29266730 0.72 MAPT (0.51) SMN1; SMN2LMNAMAPK1MAPTHTT
SCHEMBL6582258 0.70 LMNA (0.33) SMN1; SMN2LMNAMAPK1MAPTTDP1
SCHEMBL29051212 0.70 CHRM1 (0.35) SMN1; SMN2LMNAMAPK1ALDH1A1KMT2A
SCHEMBL6646160 0.69 TDP1 (0.52) MAPTTDP1HTTALDH1A1KDM4E
SCHEMBL29026507 0.69 ESR1 (0.50) SMN1; SMN2LMNATDP1HTTALDH1A1
SCHEMBL27265229 0.69 ALDH1A1 (0.40) SMN1; SMN2LMNAMAPTALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5178818-A None JP disclosed
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
JP-H05178818-A SUBSTITUTED BENZOIC ACID ESTER AND ITS PRODUCTION NIPPON SODA CO LTD 1993-07-20 JP disclosed