SCHEMBL9533080

SCHEMBL9533080

NNc1cc2[nH]c(=O)sc2cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.42
CMA1 P23946 1/20 0.41
POLB P06746 1/20 0.40
PDE3B Q13370 3/20 0.39
PDE3A Q14432 3/20 0.39
KIF11 P52732 1/20 0.37
PGR P06401 2/20 0.36
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 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
SCHEMBL9535396 0.77 CMA1 (0.44) MKNK1CMA1POLBPDE3BPDE3A
SCHEMBL18190636 0.70 CMA1 (0.44) MKNK1CMA1POLBPDE3BPDE3A
SCHEMBL9186534 0.69 PGR (0.47) CMA1POLBPDE3BPDE3APGR
SCHEMBL9832347 0.69 CMA1 (0.50) MKNK1CMA1POLBPDE3BPDE3A
SCHEMBL6190639 0.67 POLB (0.56) CMA1POLBPDE3BPDE3AKIF11
SCHEMBL3224706 0.66 CMA1 (0.61) CMA1POLBPDE3BPDE3AKIF11
SCHEMBL30534236 0.66 CMA1 (0.61) CMA1POLBPDE3BPDE3AKIF11
SCHEMBL11344106 0.65 PDE3B (0.52) CMA1POLBPDE3BPDE3AKIF11
SCHEMBL1115790 0.63 CMA1 (0.53) MKNK1CMA1POLBPDE3BPDE3A
SCHEMBL10343493 0.63 PDE3B (0.46) MKNK1CMA1PDE3BPDE3APGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0274066-B1 BENZOTHIAZOLONES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-03-17 EP disclosed
US-5079368-A Chemical intermediate for herbicides SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1992-01-07 US disclosed
US-4946961-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-08-07 US disclosed
US-4888045-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-12-19 US disclosed
EP-0274066-A2 Benzothiazolones, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-07-13 EP disclosed