SCHEMBL6603619

SCHEMBL6603619

C[N+](C)(C)C1CC(C(N)=O)N(c2ccc(N)cc2)C1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.35
GFER P55789 1/20 0.35
SYK P43405 2/20 0.33

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 SCHEMBL6095993 0.99 CASP6 (0.34) CASP6GFERSYK
Hydrochloric Acid SCHEMBL6097451 0.85
SCHEMBL2929862 0.84 SYK (0.34) CASP6GFERSYK
Hydrochloric Acid SCHEMBL6503630 0.83 SYK (0.33) CASP6GFERSYK
SCHEMBL6386872 0.79 SYK (0.47) CASP6GFERSYK
SCHEMBL6386185 0.79 SYK (0.35) CASP6GFERSYK
Hydrochloric Acid SCHEMBL6096093 0.74 KDM4E (0.33) GFER
SCHEMBL6602243 0.74 KDM4E (0.32) GFER
SCHEMBL6600969 0.73 L3MBTL3 (0.33) CASP6GFERSYK
Hydrochloric Acid SCHEMBL6097092 0.72 KDM4E (0.31) GFER

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