SCHEMBL2932089

SCHEMBL2932089

Nc1ccc(N2CCCC2C[N+]23CC[N+](CC4CCCN4c4ccc(N)cc4)(CC2)CC3)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 15/20 0.38
KDM4E B2RXH2 3/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 3/20 0.36
THRB P10828 2/20 0.36
RECQL P46063 2/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RAD52 P43351 2/20 0.34

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 SCHEMBL6495330 0.98 FFAR1 (0.37) FFAR1KDM4EMAPTALDH1A1THRB
SCHEMBL2928752 0.85 FFAR1 (0.38) FFAR1KDM4EMAPTALDH1A1THRB
Hydrochloric Acid SCHEMBL6505075 0.84 FFAR1 (0.37) FFAR1KDM4EMAPTALDH1A1THRB
Hydrochloric Acid SCHEMBL6096654 0.82 FFAR1 (0.36) FFAR1KDM4EMAPTALDH1A1THRB
SCHEMBL2926286 0.80 RAD52 (0.42) FFAR1KDM4EMAPTALDH1A1THRB
Hydrochloric Acid SCHEMBL6496609 0.79 RAD52 (0.41) FFAR1KDM4EMAPTALDH1A1THRB
SCHEMBL4890984 0.79 FFAR1 (0.43) FFAR1KDM4EMAPTALDH1A1THRB
SCHEMBL78460 0.79 FFAR1 (0.43) FFAR1KDM4EMAPTALDH1A1THRB
SCHEMBL2879493 0.76 ALDH1A1 (0.42) FFAR1KDM4EMAPTALDH1A1THRB
SCHEMBL12005383 0.76 ALDH1A1 (0.42) FFAR1KDM4EMAPTALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1396486-A1 Bis-paraphenylendiamine derivatives comprising pyrrolidine groups and their use for the colouration of keratinic fibres L'OREAL (FR) 2004-03-10 EP claimed
EP-1728500-B1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolon derivative and a cationic oxidation dye OREAL (FR) 2010-01-27 EP disclosed
EP-1728500-A1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolon derivative and a cationic oxidation dye L'OREAL (FR) 2006-12-06 EP disclosed
EP-1396486-A1 Bis-paraphenylendiamine derivatives comprising pyrrolidine groups and their use for the colouration of keratinic fibres L'OREAL (FR) 2004-03-10 EP disclosed