SCHEMBL5158086

SCHEMBL5158086

C[n+]1ccn(CCCNc2ccccc2N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
APAF1 O14727 1/20 0.43
NPC1 O15118 1/20 0.43
PLA2G1B P04054 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
QPCT Q16769 9/20 0.37
HDAC6 Q9UBN7 1/20 0.35
PON1 P27169 1/20 0.34
SOD1 P00441 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 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
Hydrochloric Acid SCHEMBL5227051 0.99 MEN1 (0.42) MEN1KMT2AAPAF1NPC1PLA2G1B
Hydrochloric Acid SCHEMBL7700418 0.97 MEN1 (0.41) MEN1KMT2AAPAF1NPC1PLA2G1B
SCHEMBL5157396 0.92 MAPT (0.39) MEN1KMT2AAPAF1NPC1PLA2G1B
Hydrochloric Acid SCHEMBL6271312 0.90 MAPT (0.38) MEN1KMT2AAPAF1NPC1PLA2G1B
SCHEMBL15545048 0.84 MAPT (0.41) MEN1KMT2AAPAF1NPC1PLA2G1B
SCHEMBL2930208 0.83 MEN1 (0.36) MEN1KMT2AHSP90AA1MAPTSMN1; SMN2
SCHEMBL14784855 0.82 SMN1; SMN2 (0.40) MEN1KMT2AAPAF1NPC1PLA2G1B
Hydrochloric Acid SCHEMBL6271443 0.82 QPCT (0.38) MEN1KMT2AHSP90AA1MAPTSMN1; SMN2
SCHEMBL5154934 0.80 MEN1 (0.37) MEN1KMT2AHSP90AA1MAPTSMN1; SMN2
Bromide SCHEMBL6271419 0.79 MEN1 (0.38) MEN1KMT2AHSP90AA1MAPTSMN1; 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 12 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-1019364-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE PHARMACIA & UPJOHN COMPANY (US) 2000-07-19 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
WO-1999011606-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE PHARMACIA & UPJOHN COMPANY (US) 1999-03-11 WO 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