SCHEMBL6602041

SCHEMBL6602041

Nc1ccc(N2CC(O)CC2C[n+]2ccccc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 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 SCHEMBL6095857 0.99 MEN1 (0.32) MEN1KMT2A
SCHEMBL6600526 0.83
Hydrochloric Acid SCHEMBL6097647 0.82 RAD52 (0.34)
Hydrochloric Acid SCHEMBL6097559 0.82
SCHEMBL5850115 0.78 GBA1 (0.37) MEN1KMT2A
SCHEMBL6604013 0.75 FFAR1 (0.41) MEN1KMT2A
SCHEMBL6599196 0.74 GFER (0.32) MEN1KMT2A
Hydrochloric Acid SCHEMBL6098198 0.74 FFAR1 (0.40) MEN1KMT2A
SCHEMBL2929791 0.74
Hydrochloric Acid SCHEMBL6098345 0.73 KDM4E (0.31) KMT2A

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