SCHEMBL5155244

SCHEMBL5155244

C[n+]1ccn(CC(=O)NCCNc2ccccc2N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 3/20 0.36
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
HDAC1 Q13547 9/20 0.35
HDAC3 O15379 9/20 0.35
HDAC2 Q92769 5/20 0.35
NCOR2 Q9Y618 3/20 0.35
HDAC4 P56524 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC9 Q9UKV0 2/20 0.35
HDAC5 Q9UQL6 2/20 0.35
CA12 O43570 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 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 SCHEMBL6269760 0.99 LMNA (0.39) LMNASMN1; SMN2HPGDMAPTMAPK1
SCHEMBL5157396 0.80 MAPT (0.39) LMNASMN1; SMN2HPGDMAPTMAPK1
Hydrochloric Acid SCHEMBL6271312 0.79 MAPT (0.38) LMNASMN1; SMN2HPGDMAPTMAPK1
SCHEMBL5158086 0.78 MEN1 (0.43) SMN1; SMN2MAPTMAPK1HDAC1HDAC3
Hydrochloric Acid SCHEMBL5227051 0.77 MEN1 (0.42) LMNASMN1; SMN2MAPTMAPK1HDAC1
Hydrochloric Acid SCHEMBL7700418 0.76 MEN1 (0.41) LMNASMN1; SMN2MAPTMAPK1HDAC6
SCHEMBL7373085 0.73 SHMT2 (0.49) LMNAHPGDHDAC1HDAC3HDAC2
SCHEMBL6943172 0.73 MAPT (0.49) LMNASMN1; SMN2HPGDMAPTMAPK1
Hydrochloric Acid SCHEMBL6940683 0.72 HPGD (0.48) LMNASMN1; SMN2HPGDMAPTMAPK1
SCHEMBL6945490 0.71 LMNA (0.41) LMNASMN1; SMN2HPGDMAPTMAPK1

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