SCHEMBL5197895

SCHEMBL5197895

Cn1cc[n+](C)c1N=NC=NN=c1ccccn1C

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
PABPC1 P11940 1/20 0.45
APOBEC3A P31941 1/20 0.45
RAB9A P51151 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HDAC8 Q9BY41 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 SCHEMBL4799280 0.99 KDM4E (0.44) KDM4ENPC1PABPC1APOBEC3ARAB9A
SCHEMBL839889 0.82 KDM4E (0.58) KDM4ENPC1PABPC1APOBEC3ARAB9A
SCHEMBL3398451 0.82 KDM4E (0.58) KDM4ENPC1PABPC1APOBEC3ARAB9A
SCHEMBL4584579 0.82 KDM4E (0.58) KDM4ENPC1PABPC1APOBEC3ARAB9A
SCHEMBL3398448 0.82 KDM4E (0.58) KDM4ENPC1PABPC1APOBEC3ARAB9A
Hydrochloric Acid SCHEMBL2443154 0.81 KDM4E (0.57) KDM4ENPC1PABPC1APOBEC3ARAB9A
Hydrochloric Acid SCHEMBL29566164 0.81 KDM4E (0.57) KDM4ENPC1PABPC1APOBEC3ARAB9A
Hydrochloric Acid SCHEMBL1151449 0.81 KDM4E (0.57) KDM4ENPC1PABPC1APOBEC3ARAB9A
Hydrochloric Acid SCHEMBL1151450 0.81 KDM4E (0.57) KDM4ENPC1PABPC1APOBEC3ARAB9A
SCHEMBL483985 0.79 HDAC8 (0.34) HDAC8

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
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-1548006-B1 Synthesis of tetraazapentamethine derivatives, keratin fibers dyeing process which uses such synthesis OREAL (FR) 2007-09-05 EP disclosed
EP-1548006-A1 Synthesis of tetraazapentamethine derivatives, keratin fibers dyeing process which uses such synthesis L'OREAL (FR) 2005-06-29 EP disclosed
EP-1378544-A2 Tetraaza-pentamethine derivatives and their application for dyeing keratinous fibres L'OREAL (FR) 2004-01-07 EP disclosed