SCHEMBL6600969

SCHEMBL6600969

C[N+]1(C2CC(C(N)=O)N(c3ccc(N)cc3)C2)CCCC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CASP6 P55212 1/20 0.32
GFER P55789 1/20 0.32
SYK P43405 2/20 0.31

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 SCHEMBL6096097 0.97 L3MBTL3 (0.32) L3MBTL3L3MBTL1CASP6GFERSYK
Hydrochloric Acid SCHEMBL6097451 0.90
SCHEMBL6599674 0.78 GBA1 (0.32) GFER
Hydrochloric Acid SCHEMBL6097570 0.77 THRB (0.32)
Hydrochloric Acid SCHEMBL6094691 0.76 GBA1 (0.30) GFER
SCHEMBL6386872 0.75 SYK (0.47) CASP6GFERSYK
SCHEMBL6386185 0.75 SYK (0.35) L3MBTL1CASP6GFERSYK
SCHEMBL6624024 0.74
Hydrochloric Acid SCHEMBL6111145 0.73
SCHEMBL6603619 0.73 CASP6 (0.35) CASP6GFERSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1462453-A1 Paraphenylenediamin derivatives comprising a substituted pyrrolidinyl group and bearing a cationic radical as well as their use for dyeing keratinic fibres L'OREAL (FR) 2004-09-29 EP disclosed