SCHEMBL2928478

SCHEMBL2928478

Cc1cc(N2CCCC2C[N+](C)(C)CCCCCC[N+](C)(C)CC2CCCN2c2ccc(N)c(C)c2)ccc1N

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.39
GAA P10253 1/20 0.39
FFAR1 O14842 8/20 0.33
PPARG P37231 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.31
POLB P06746 1/20 0.31
NR1I2 O75469 1/20 0.30
SMARCA2 P51531 1/20 0.30
SMARCA4 P51532 1/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30
PBRM1 Q86U86 1/20 0.30

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 SCHEMBL6505005 0.99 RAD52 (0.38) RAD52GAAFFAR1PPARGKDM4E
Hydrochloric Acid SCHEMBL6497884 0.95 RAD52 (0.39) RAD52GAAFFAR1PPARGKDM4E
SCHEMBL2928844 0.84 FFAR1 (0.38) RAD52GAAFFAR1PPARGKDM4E
Hydrochloric Acid SCHEMBL6495408 0.83 FFAR1 (0.38) RAD52GAAFFAR1PPARGKDM4E
SCHEMBL2928477 0.80 FFAR1 (0.39) RAD52GAAFFAR1PPARGKDM4E
Hydrochloric Acid SCHEMBL6506234 0.79 FFAR1 (0.38) RAD52GAAFFAR1PPARGKDM4E
SCHEMBL6505168 0.77 RAD52 (0.41) RAD52GAAFFAR1PPARGKDM4E
SCHEMBL13638851 0.76 ADORA2A (0.45) RAD52GAAFFAR1PPARG
SCHEMBL2926286 0.75 RAD52 (0.42) RAD52GAAFFAR1PPARGKDM4E
Hydrochloric Acid SCHEMBL6496609 0.74 RAD52 (0.41) RAD52GAAFFAR1PPARGKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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