SCHEMBL11275562

SCHEMBL11275562

O=C1CSc2cccc(F)c2N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.41
MAOB P27338 4/20 0.41
EPHX2 P34913 1/20 0.41
KIF11 P52732 1/20 0.39
GSK3A P49840 2/20 0.38
GSK3B P49841 2/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
HTT P42858 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
PDE7A Q13946 1/20 0.36
CYP11B1 P15538 1/20 0.36

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
SCHEMBL3592914 0.79 MAOA (0.41) MAOAMAOBEPHX2KIF11GSK3A
SCHEMBL10764795 0.79 AHR (0.51) MAOAMAOBEPHX2KIF11GSK3A
SCHEMBL3592916 0.79 MAOA (0.41) MAOAMAOBEPHX2KIF11GSK3A
SCHEMBL2433215 0.75 HTT (0.48) MAOAMAOBEPHX2HTTALDH1A1
SCHEMBL11447667 0.73 LMNA (0.52) MAOAMAOBEPHX2GAAALDH1A1
SCHEMBL8526843 0.72 IKBKB (0.37) MAOAMAOBEPHX2KIF11ALDH1A1
SCHEMBL12569184 0.72 AADAT (0.35) CA12CA1CA2CA4CA7
SCHEMBL9161477 0.72 MAOA (0.36) MAOAMAOBEPHX2KIF11GSK3A
SCHEMBL13150179 0.71 MAOA (0.41) MAOAMAOBEPHX2KIF11GSK3A
Hydrochloric Acid SCHEMBL2001132 0.71 AADAT (0.35) CA12CA1CA2CA4CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4337357-A 1,4-BENZOTHIAZINE INTERMEDIATES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-06-29 US disclosed
US-4268301-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-05-19 US disclosed