SCHEMBL9535396

SCHEMBL9535396

Nc1cc2[nH]c(=O)sc2cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.44
PDE3B Q13370 3/20 0.42
PDE3A Q14432 3/20 0.42
POLB P06746 1/20 0.39
MKNK1 Q9BUB5 2/20 0.39
PGR P06401 2/20 0.38
KIF11 P52732 1/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 2/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.33
PKM P14618 1/20 0.33
GRIA1 P42261 2/20 0.33
CACNG8 Q8WXS5 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL9832347 0.84 CMA1 (0.50) CMA1PDE3BPDE3APOLBMKNK1
SCHEMBL9533080 0.77 MKNK1 (0.42) CMA1PDE3BPDE3APOLBMKNK1
SCHEMBL10343493 0.74 PDE3B (0.46) CMA1PDE3BPDE3AMKNK1PGR
SCHEMBL18190636 0.74 CMA1 (0.44) CMA1PDE3BPDE3APOLBMKNK1
SCHEMBL1115790 0.74 CMA1 (0.53) CMA1PDE3BPDE3APOLBMKNK1
SCHEMBL9186534 0.73 PGR (0.47) CMA1PDE3BPDE3APOLBPGR
SCHEMBL6190639 0.71 POLB (0.56) CMA1PDE3BPDE3APOLBPGR
SCHEMBL118581 0.71 PDE3B (0.55) CMA1PDE3BPDE3APOLBMKNK1
SCHEMBL15534441 0.70 PDE3B (0.54) CMA1PDE3BPDE3APOLBMKNK1
SCHEMBL17758383 0.70 PDE3B (0.41) PDE3BPDE3AMAPTALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004784-A None JP disclosed
EP-0274066-B1 BENZOTHIAZOLONES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-03-17 EP disclosed
EP-0296416-B1 BENZO-ANELLATED CYCLIC COMPOUNDS NIHON BAYER AGROCHEM K.K. (JP) 1992-07-29 EP disclosed
US-5079368-A Chemical intermediate for herbicides SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1992-01-07 US disclosed
US-5077401-A Herbicides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1991-12-31 US disclosed
US-5007952-A Herbicidal novel benzothiazolonyl pyrroles NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1991-04-16 US disclosed
US-4971619-A HERBICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1990-11-20 US disclosed
US-4946961-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-08-07 US disclosed
EP-0369262-A2 Novel pyrroles NIHON BAYER AGROCHEM K.K. (JP) 1990-05-23 EP disclosed
US-4902335-A Benzo-fused cyclic compounds NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1990-02-20 US disclosed
EP-0351676-A2 Benzothiazolones NIHON BAYER AGROCHEM K.K. (JP) 1990-01-24 EP disclosed
JP-H024784-A PRODUCTION OF 5-AMINO-6-FLUORO-2-BENZOTHIAZOLONE NIPPON TOKUSHU NOYAKU SEIZO KK 1990-01-09 JP disclosed
US-4888045-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-12-19 US disclosed
EP-0296416-A1 Benzo-anellated cyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1988-12-28 EP disclosed
EP-0274066-A2 Benzothiazolones, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-07-13 EP disclosed