SCHEMBL2928752

SCHEMBL2928752

C[N+]1(CC2CCCN2c2ccc(N)cc2)CC[N+](C)(CC2CCCN2c2ccc(N)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 14/20 0.38
PPARG P37231 1/20 0.34
KDM4E B2RXH2 4/20 0.34
MAPT P10636 4/20 0.34
ALDH1A1 P00352 4/20 0.34
GAA P10253 3/20 0.34
THRB P10828 2/20 0.34
RECQL P46063 2/20 0.34
KMT2A Q03164 2/20 0.34
RAD52 P43351 2/20 0.34
GFER P55789 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 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 SCHEMBL6505075 0.99 FFAR1 (0.37) FFAR1PPARGKDM4EMAPTALDH1A1
Hydrochloric Acid SCHEMBL6096654 0.94 FFAR1 (0.36) FFAR1PPARGKDM4EMAPTALDH1A1
SCHEMBL2932089 0.85 FFAR1 (0.38) FFAR1PPARGKDM4EMAPTALDH1A1
Hydrochloric Acid SCHEMBL6495330 0.84 FFAR1 (0.37) FFAR1PPARGKDM4EMAPTALDH1A1
SCHEMBL2928834 0.82 RAD52 (0.41) FFAR1PPARGKDM4EMAPTALDH1A1
Hydrochloric Acid SCHEMBL6504930 0.81 RAD52 (0.40) FFAR1PPARGKDM4EMAPTGAA
Hydrochloric Acid SCHEMBL6095736 0.78 RAD52 (0.39) FFAR1PPARGKDM4EMAPTGAA
SCHEMBL4890984 0.76 FFAR1 (0.43) FFAR1PPARGKDM4EMAPTALDH1A1
SCHEMBL78460 0.76 FFAR1 (0.43) FFAR1PPARGKDM4EMAPTALDH1A1
SCHEMBL6601360 0.76 FFAR1 (0.39) FFAR1PPARGKDM4EMAPTALDH1A1

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