SCHEMBL9690691

SCHEMBL9690691

COc1cccc(N(N)C2=NCCS2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
HSD17B10 Q99714 2/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 1/20 0.40
ADRA2A P08913 2/20 0.38
ADRA1A P35348 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NISCH Q9Y2I1 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1B P35368 1/20 0.38
CYP3A4 P08684 1/20 0.38
KMT2A Q03164 3/20 0.36
AOC3 Q16853 1/20 0.36
BACE1 P56817 1/20 0.36
KCNH2 Q12809 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
SCHEMBL6331583 0.82 MAPT (0.46) MAPTHSD17B10NPC1RAB9ATP53
SCHEMBL9690700 0.78 ALDH1A1 (0.39) MAPTRAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL9690716 0.78 ALDH1A1 (0.39) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL9581166 0.78 ALDH1A1 (0.39) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9690773 0.77 GRIN2D (0.37) MAPTHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL11747051 0.76 ALDH1A1 (0.53) MAPTHSD17B10NPC1RAB9ATP53
SCHEMBL9690768 0.75 ALDH1A1 (0.50) MAPTSMN1; SMN2GAAALDH1A1KMT2A
SCHEMBL9689448 0.75 ALDH1A1 (0.35) ALDH1A1
SCHEMBL9689432 0.74 ALDH1A1 (0.36) ALDH1A1
SCHEMBL9689560 0.74 ALDH1A1 (0.36) NPC1RAB9ASMN1; SMN2ALDH1A1

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