SCHEMBL9690083

SCHEMBL9690083

NN(C1=NCCS1)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CETP P11597 6/20 0.38
GRM2 Q14416 2/20 0.35
KCNH2 Q12809 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
ALDH1A1 P00352 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DHFR P00374 1/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
MPI P34949 1/20 0.33
XDH P47989 1/20 0.33
DYRK1A Q13627 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
SCHEMBL9660733 0.83 NISCH (0.39) KCNH2SCN10AALDH1A1NPC1RAB9A
SCHEMBL9690691 0.82 MAPT (0.46) KCNH2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL9690093 0.76 ALDH1A1 (0.34) CETPKCNH2ALDH1A1SMN1; SMN2
SCHEMBL9581166 0.75 ALDH1A1 (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL9690000 0.74 ALDH1A1 (0.33) ALDH1A1
SCHEMBL9690703 0.74 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2
SCHEMBL9689560 0.74 ALDH1A1 (0.36) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL9689432 0.74 ALDH1A1 (0.36) ALDH1A1
SCHEMBL11747051 0.73 ALDH1A1 (0.53) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL9690773 0.71 GRIN2D (0.37) ALDH1A1SMN1; SMN2

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-0520275-A2 2-(3-Substituted phenylhydrazino)-2-thiazoline and 2-(3-substituted phenylazo)-2-thiazoline, their preparation and their use against ectoparasites BAYER AG (DE) 1992-12-30 EP disclosed