SCHEMBL7913173

SCHEMBL7913173

Cc1cccc(N(N)N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.52
SIGMAR1 Q99720 2/20 0.46
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
PARP1 P09874 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
IDO1 P14902 2/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
NSD2 O96028 1/20 0.38
CASP3 P42574 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
SCHEMBL21787888 0.85 ACHE (0.52) ACHESIGMAR1ALDH1A1MAPK1PARP1
SCHEMBL29611864 0.83 ACHE (0.50) ACHESIGMAR1ALDH1A1MAPK1PARP1
SCHEMBL6303647 0.83 ACHE (0.50) ACHESIGMAR1ALDH1A1MAPK1PARP1
SCHEMBL27854433 0.81 ACHE (0.48) ACHESIGMAR1ALDH1A1MAPK1PARP1
SCHEMBL11680537 0.81 ACHE (0.48) ACHESIGMAR1ALDH1A1MAPK1PARP1
SCHEMBL22567133 0.79 ACHE (0.46) ACHESIGMAR1ALDH1A1TAAR1IDO1
SCHEMBL28895569 0.79 SIGMAR1 (0.46) ACHESIGMAR1ALDH1A1MAPK1HTR3E
SCHEMBL31298550 0.79 ACHE (0.46) ACHESIGMAR1ALDH1A1TAAR1IDO1
SCHEMBL977663 0.79 ACHE (0.58) ACHESIGMAR1ALDH1A1MAPK1HSD17B1
SCHEMBL12879 0.77 ALDH1A1 (0.56) ACHESIGMAR1ALDH1A1MAPK1HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1205179-C (P-aminohydroxyphenyl) acrylamide derivatives and coloring agents containing the same P & G CLAROLL CORP (US) 2005-06-08 CN claimed
CN-1437578-A (P-amino-hyaroxyphenyl)-acrylamide derivatives and dyes containing said compounds WELLA AG (DE) 2003-08-20 CN claimed
US-6228816-B1 AQUEOUS CUTTING LIQUID WHICH COMPRISES CATIONIC WATER-SOLUBLE RESIN HAVING SPECIFIED AMINE VALUE AND AT LEAST ONE RHEOLOGY CONTROL AGENT SELECTED FROM INORGANIC BENTONITE, ORGANIC BENTONITE AND AQUEOUS SILICA SOL NOF CORPORATION (JP) 2001-05-08 US disclosed