SCHEMBL5196641

SCHEMBL5196641

Cn1ccc(=NN=C(N=Nc2cc[n+](C)cc2)c2ccccc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
NPC1 O15118 2/20 0.34
KDM4E B2RXH2 1/20 0.32
HSP90AA1 P07900 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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 SCHEMBL4804209 0.99 RAB9A (0.34) RAB9AL3MBTL1NPC1KDM4EHSP90AA1
SCHEMBL5196628 0.80
SCHEMBL16642010 0.80
Hydrochloric Acid SCHEMBL4806501 0.80 L3MBTL1 (0.36) RAB9AL3MBTL1KDM4EHSP90AA1GAA
Hydrochloric Acid SCHEMBL4805933 0.76
Hydrochloric Acid SCHEMBL4806230 0.76
Hydrochloric Acid SCHEMBL4808159 0.75 MAPT (0.37) RAB9AL3MBTL1NPC1KDM4EHSP90AA1
Hydrochloric Acid SCHEMBL4807994 0.75 NPC1 (0.31) RAB9AL3MBTL1NPC1
Hydrochloric Acid SCHEMBL4805175 0.72 NPC1 (0.34) RAB9AL3MBTL1NPC1
Hydrochloric Acid SCHEMBL4913610 0.71

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 5 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-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