SCHEMBL6604013

SCHEMBL6604013

Nc1ccc(N2CCCC2C[n+]2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 17/20 0.41
PPARG P37231 1/20 0.36
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 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 SCHEMBL6098198 0.99 FFAR1 (0.40) FFAR1PPARGKDM4EMEN1NPC1
Hydrochloric Acid SCHEMBL6097828 0.81 RAD52 (0.39) FFAR1PPARGKDM4EGAAMAPT
SCHEMBL4890984 0.75 FFAR1 (0.43) FFAR1PPARGKDM4EMEN1NPC1
SCHEMBL78460 0.75 FFAR1 (0.43) FFAR1PPARGKDM4EMEN1NPC1
SCHEMBL6602041 0.75 MEN1 (0.33) MEN1KMT2A
Hydrochloric Acid SCHEMBL6095857 0.74 MEN1 (0.32) MEN1KMT2A
SCHEMBL6600526 0.74
SCHEMBL31107099 0.73 FFAR1 (0.43) FFAR1PPARG
Hydrochloric Acid SCHEMBL6097559 0.73
SCHEMBL12005383 0.73 ALDH1A1 (0.42) FFAR1KDM4EMEN1NPC1USP2

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