SCHEMBL9837540

SCHEMBL9837540

C=CCn1c(=O)sc2cc(F)c([N+](=O)[O-])cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
NPC1 O15118 1/20 0.37
S1PR4 O95977 1/20 0.37
S1PR1 P21453 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
TLR9 Q9NR96 1/20 0.37
GFER P55789 1/20 0.34
ATM Q13315 1/20 0.34
CFTR P13569 1/20 0.34
CDYL2 Q8N8U2 2/20 0.33
CDYL Q9Y232 2/20 0.33
HIF1A Q16665 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
SCHEMBL8355924 0.79 SHMT2 (0.45) SHMT2SMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL10365982 0.77 TDP1 (0.44) LMNAALDH1A1MAPTTDP1HTT
SCHEMBL10992140 0.76 CFTR (0.37) LMNASMN1; SMN2ALDH1A1MAPTTDP1
SCHEMBL9838652 0.76 SHMT2 (0.39) SHMT2LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL10365714 0.74 MAPK1 (0.38) LMNAALDH1A1MAPTHTTNPSR1
SCHEMBL10366017 0.74 SMN1; SMN2 (0.41) LMNASMN1; SMN2ALDH1A1MAPTTDP1
SCHEMBL30945117 0.74 SHMT2 (0.41) SHMT2ALDH1A1MAPTNPC1RAB9A
SCHEMBL9838712 0.74 SHMT2 (0.41) SHMT2ALDH1A1MAPTNPC1RAB9A
SCHEMBL9837609 0.73 SHMT2 (0.40) SHMT2ALDH1A1MAPTKDM4ECYP3A4
SCHEMBL9839357 0.71 SHMT2 (0.39) SHMT2ALDH1A1MAPTKDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0230874-B1 BENZOTHIAZOLYLAZOLIDINES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-11-27 EP disclosed
EP-0218972-B1 BENZOTHIAZOLONES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-02-07 EP disclosed
US-4898948-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-02-06 US disclosed
US-4888428-A HERBICIDE INTERMEDIATES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-12-19 US disclosed
US-4828605-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-05-09 US disclosed
US-4786310-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-11-22 US disclosed
US-4720297-A Benzothiazolones, and their production and use as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-01-19 US disclosed
EP-0230874-A1 Benzothiazolylazolidines, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-08-05 EP disclosed
EP-0218972-A1 Benzothiazolones, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-04-22 EP disclosed