SCHEMBL9660733

SCHEMBL9660733

NN(C1=NCCS1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.39
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 4/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
DHFR P00374 1/20 0.33
RAB9A P51151 3/20 0.33
MAPT P10636 3/20 0.33
SCN5A Q14524 2/20 0.33
SCN9A Q15858 2/20 0.33
SCN2A Q99250 2/20 0.33
KCNH2 Q12809 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 2/20 0.33
ATM Q13315 1/20 0.33
SCN1A P35498 1/20 0.33
SCN8A Q9UQD0 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
GMNN O75496 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
SCHEMBL9661529 0.89 ALDH1A1 (0.33) ALDH1A1NPC1RAB9AMAPTATM
SCHEMBL9660407 0.86 ALDH1A1 (0.31) ALDH1A1MAPTATM
SCHEMBL9660892 0.86 ALDH1A1 (0.31) ALDH1A1MAPTATM
SCHEMBL9690083 0.83 CETP (0.38) ALDH1A1NPC1DHFRRAB9AKCNH2
SCHEMBL9661596 0.79 SMN1; SMN2 (0.39) ALDH1A1NPC1MEN1TSHRKMT2A
SCHEMBL9660409 0.73 ALDH1A1 (0.32) ALDH1A1
SCHEMBL9660857 0.68 NISCH (0.39) NISCHALDH1A1NPC1MEN1TSHR
SCHEMBL9660740 0.68 NPC1 (0.41) NISCHNPC1MEN1TSHRKMT2A
SCHEMBL9660852 0.68 NISCH (0.39) NISCHALDH1A1NPC1MEN1TSHR
SCHEMBL12282928 0.67 TSHR (0.41) NISCHALDH1A1TSHRDHFRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0520274-A2 2-(-4-substituted-phenylhydrazino)-2-thiazoline and 2-(-4-substituted phenylazo)-2-thiazoline, their preparation and their use against ectoparasites BAYER AG (DE) 1992-12-30 EP disclosed