SCHEMBL11831735

SCHEMBL11831735

CN(N)Cc1ccc(N)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.62
MAPT P10636 2/20 0.50
ALDH1A1 P00352 4/20 0.48
CYP3A4 P08684 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
TSHR P16473 3/20 0.48
GFER P55789 2/20 0.48
LOXL2 Q9Y4K0 1/20 0.46
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
HRH3 Q9Y5N1 1/20 0.42
MAOB P27338 3/20 0.41
MAOA P21397 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PSMD14 O00487 1/20 0.39
RECQL P46063 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ACHE P22303 1/20 0.38

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
SCHEMBL57323 0.82 HRH3 (0.64) MAPTALDH1A1CYP3A4TDP1TSHR
Hydrochloric Acid SCHEMBL56245 0.80 HRH3 (0.61) MAPTALDH1A1CYP3A4TDP1TSHR
Hydrochloric Acid SCHEMBL1322204 0.80 HRH3 (0.61) MAPTALDH1A1CYP3A4TDP1TSHR
SCHEMBL18773885 0.80 AOC3 (0.62) AOC3ALDH1A1TDP1TSHRHRH3
SCHEMBL15597723 0.78 AOC3 (0.63) AOC3ALDH1A1TDP1LOXL2
SCHEMBL13769273 0.78 AOC3 (0.63) AOC3ALDH1A1TSHRHRH3
SCHEMBL6895864 0.78 MAPT (0.48) AOC3MAPTALDH1A1CYP3A4TDP1
SCHEMBL18598042 0.78 AOC3 (0.60) AOC3ALDH1A1TSHRHRH3MAOB
SCHEMBL1793814 0.77 AOC3 (1.00) AOC3ALDH1A1CYP3A4TSHRMAOB
SCHEMBL1164941 0.77 AOC3 (1.00) AOC3ALDH1A1CYP3A4TSHRMAOB

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
US-3966706-A 2,6-Dihydroxy-3-cyano-4-methylpyridine containing azo dyes which contain a functional amino group CIBA-GEIGY AG (CH) 1976-06-29 US disclosed