SCHEMBL6602243

SCHEMBL6602243

C[N+](C)(C)CC1CC([N+](C)(C)C)CN1c1ccc(N)cc1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
GFER P55789 2/20 0.32
RAD52 P43351 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ADRA2C P18825 1/20 0.31
KMT2A Q03164 1/20 0.31
PTK2B Q14289 1/20 0.31
ESR2 Q92731 1/20 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 SCHEMBL6097092 0.98 KDM4E (0.31) KDM4EGAAMAPTGFERRAD52
Hydrochloric Acid SCHEMBL6097578 0.98 KDM4E (0.31) KDM4EGAAMAPTGFERRAD52
Hydrochloric Acid SCHEMBL6096093 0.85 KDM4E (0.33) KDM4EGAAMAPTGFERRAD52
SCHEMBL6599196 0.82 GFER (0.32) KDM4EGAAMAPTGFERRAD52
Hydrochloric Acid SCHEMBL6098345 0.81 KDM4E (0.31) KDM4EGAAMAPTGFERRAD52
SCHEMBL6601360 0.74 FFAR1 (0.39) KDM4EGAAMAPTGFERRAD52
SCHEMBL6603619 0.74 CASP6 (0.35) GFER
Hydrochloric Acid SCHEMBL6095710 0.73 FFAR1 (0.39) KDM4EGAAMAPTGFERRAD52
Hydrochloric Acid SCHEMBL6095993 0.72 CASP6 (0.34) GFER
SCHEMBL2926121 0.72 GRM2 (0.31) KDM4EGAAMAPTGFERRAD52

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