SCHEMBL5196751

SCHEMBL5196751

CCC(N=Nc1cccc[n+]1CCO)=NN=c1ccccn1CCO

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 2/20 0.31
POLB P06746 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
APOBEC3A P31941 1/20 0.30
RAB9A P51151 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30

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 SCHEMBL4804844 0.99 POLB (0.31) PABPC1POLBCA1CA2
Hydrochloric Acid SCHEMBL5225789 0.92 CA1 (0.31) PABPC1CA1CA2KDM4ENPC1
SCHEMBL483865 0.87 CA1 (0.32) PABPC1POLBCA1CA2KDM4E
SCHEMBL839121 0.87 CA1 (0.32) PABPC1POLBCA1CA2KDM4E
Hydrochloric Acid SCHEMBL1152259 0.86 CA1 (0.31) PABPC1CA1CA2KDM4ENPC1
Hydrochloric Acid SCHEMBL1152262 0.86 CA1 (0.31) PABPC1CA1CA2KDM4ENPC1
Hydrochloric Acid SCHEMBL4803994 0.84
SCHEMBL14104303 0.83 CA1 (0.31) CA1CA2
Hydrochloric Acid SCHEMBL4806799 0.83 ESR1 (0.31) POLBKDM4E
Hydrochloric Acid SCHEMBL4802669 0.82 CA1 (0.30) CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1548006-B1 Synthesis of tetraazapentamethine derivatives, keratin fibers dyeing process which uses such synthesis OREAL (FR) 2007-09-05 EP claimed
WO-2007071685-A1 COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE AND ANOTHER PARTICULAR DIRECT DYE L'ORÉAL (FR) 2007-06-28 WO claimed
WO-2007071688-A1 COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE, A PARTICULAR OXIDATION BASE AND A COUPLER L'ORÉAL (FR) 2007-06-28 WO claimed
EP-1548006-A1 Synthesis of tetraazapentamethine derivatives, keratin fibers dyeing process which uses such synthesis L'OREAL (FR) 2005-06-29 EP claimed
EP-1378544-A2 Tetraaza-pentamethine derivatives and their application for dyeing keratinous fibres L'OREAL (FR) 2004-01-07 EP claimed
EP-1378544-A2 Tetraaza-pentamethine derivatives and their application for dyeing keratinous fibres L'OREAL (FR) 2004-01-07 EP disclosed