SCHEMBL5154774

SCHEMBL5154774

COc1ccc(N)c(NCCn2cc[n+](C)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.35
ADRA1D P25100 3/20 0.35
ADRA1A P35348 3/20 0.35
ADRA1B P35368 3/20 0.35
FERMT2 Q96AC1 1/20 0.35
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 3/20 0.34
MAPT P10636 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP3A4 P08684 2/20 0.34
MAPK1 P28482 2/20 0.34
APAF1 O14727 1/20 0.34
NPC1 O15118 1/20 0.34
PLA2G1B P04054 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34

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
Hydrochloric Acid SCHEMBL6269789 0.99 HTR1A (0.37) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL14785400 0.82 SMN1; SMN2 (0.35) MEN1MAPTKMT2ASMN1; SMN2CYP3A4
Hydrochloric Acid SCHEMBL6266133 0.81 MEN1 (0.34) MEN1MAPTKMT2ASMN1; SMN2MAPK1
SCHEMBL5157396 0.79 MAPT (0.39) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL6271312 0.78 MAPT (0.38) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL14784855 0.78 SMN1; SMN2 (0.40) MEN1MAPTKMT2ASMN1; SMN2CYP3A4
Hydrochloric Acid SCHEMBL7718292 0.78 MEN1 (0.32) MEN1MAPTKMT2ASMN1; SMN2MAPK1
SCHEMBL15545409 0.77 SMN1; SMN2 (0.37) MEN1MAPTKMT2ASMN1; SMN2MAPK1
SCHEMBL14793380 0.76 SMN1; SMN2 (0.33) MEN1MAPTKMT2ASMN1; SMN2MAPK1
SCHEMBL5158086 0.74 MEN1 (0.43) MEN1MAPTKMT2ASMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1334713-B1 Dyeing composition comprising diaminopyrazole and cationic compounds as oxidation bases and a coupling agent OREAL (FR) 2005-12-07 EP claimed
EP-1334713-A1 Dyeing composition comprising diaminopyrazole and cationic compounds as oxidation bases and a coupling agent L'OREAL (FR) 2003-08-13 EP claimed
EP-0984007-A1 Cationic orthophenylenediamines, their use for the oxidation dyeing of keratinous fibres, dyeing compositions and dyeing methods L'OREAL (FR) 2000-03-08 EP claimed
EP-1056435-B9 DYEING METHOD USING AN HETEROCYCLIC CATIONIC AMINE AND A ALDEHYDE OR KETONE OR QUINONE OR DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVES OREAL (FR) 2007-01-10 EP disclosed
EP-1056435-B1 DYEING METHOD USING AN HETEROCYCLIC CATIONIC AMINE AND A ALDEHYDE OR KETONE OR QUINONE OR DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVES OREAL (FR) 2006-06-28 EP disclosed
EP-1334713-B1 Dyeing composition comprising diaminopyrazole and cationic compounds as oxidation bases and a coupling agent OREAL (FR) 2005-12-07 EP disclosed
EP-1334713-A1 Dyeing composition comprising diaminopyrazole and cationic compounds as oxidation bases and a coupling agent L'OREAL (FR) 2003-08-13 EP disclosed
EP-1056435-A1 DYEING METHOD USING AN ALIPHATIC CATIONIC AMINE AND A ALDEHYDE OR KETONE OR QUINONE OR DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVES L'OREAL (FR) 2000-12-06 EP disclosed
WO-2000038641-A1 DYEING METHOD USING AN ALIPHATIC CATIONIC AMINE AND A ALDEHYDE OR KETONE OR QUINONE OR DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVES L'OREAL (FR) 2000-07-06 WO disclosed
EP-0984007-A1 Cationic orthophenylenediamines, their use for the oxidation dyeing of keratinous fibres, dyeing compositions and dyeing methods L'OREAL (FR) 2000-03-08 EP disclosed