SCHEMBL9838652

SCHEMBL9838652

C=CCn1c(=O)sc2c(F)c([N+](=O)[O-])ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.39
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 4/20 0.36
GFER P55789 3/20 0.36
PLK1 P53350 1/20 0.34
MAPT P10636 6/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TLR9 Q9NR96 1/20 0.33
POLB P06746 4/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
APOBEC3G Q9HC16 3/20 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
SCHEMBL9837540 0.76 SHMT2 (0.42) SHMT2LMNASMN1; SMN2ALDH1A1GFER
SCHEMBL10992140 0.67 CFTR (0.37) LMNASMN1; SMN2ALDH1A1GFERMAPT
SCHEMBL18311461 0.66 TDP1 (0.56) SMN1; SMN2ALDH1A1MAPTTDP1MAPK1
SCHEMBL7307253 0.65 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1GFERMAPTNPC1
SCHEMBL3034960 0.64 L3MBTL1 (0.60) SMN1; SMN2ALDH1A1NPC1RAB9ATDP1
SCHEMBL26948700 0.63 ADORA2B (0.42) LMNASMN1; SMN2ALDH1A1GFERMAPT
SCHEMBL27431911 0.61 TDP1 (0.41) LMNASMN1; SMN2ALDH1A1MAPTTDP1
SCHEMBL8355924 0.60 SHMT2 (0.45) SHMT2SMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL17417874 0.60 MAPT (0.56) LMNAALDH1A1GFERMAPTNPC1
SCHEMBL4299490 0.59 SHMT2 (0.41) SHMT2SMN1; SMN2ALDH1A1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62132873-A None JP disclosed
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
JP-S62132873-A 3-SUBSTITUTED-6-FLUORO-5-NITRO-2(3H)-BENZOTHIAZOLONE AND PRODUCTION THEREOF SUMITOMO CHEM CO LTD 1987-06-16 JP disclosed
EP-0218972-A1 Benzothiazolones, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-04-22 EP disclosed