SCHEMBL6505168

SCHEMBL6505168

Cc1cc(N2CCCC2COCCCOCC2CCCN2c2ccc(N)c(C)c2)ccc1N

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.41
GAA P10253 1/20 0.41
FFAR1 O14842 12/20 0.37
PPARG P37231 1/20 0.36
ADORA2A P29274 2/20 0.34
ADORA1 P30542 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
FPR1 P21462 1/20 0.32
FPR2 P25090 1/20 0.32
NR1I2 O75469 1/20 0.32
SMARCA2 P51531 1/20 0.32
SMARCA4 P51532 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
PBRM1 Q86U86 1/20 0.32

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
SCHEMBL13638851 0.87 ADORA2A (0.45) RAD52GAAFFAR1PPARGADORA2A
SCHEMBL5964474 0.81 FFAR1 (0.40) RAD52GAAFFAR1PPARGKDM4E
SCHEMBL2926286 0.78 RAD52 (0.42) RAD52GAAFFAR1PPARGKDM4E
SCHEMBL2928834 0.77 RAD52 (0.41) RAD52GAAFFAR1PPARGKDM4E
Hydrochloric Acid SCHEMBL6496609 0.77 RAD52 (0.41) RAD52GAAFFAR1PPARGKDM4E
Hydrochloric Acid SCHEMBL6497884 0.77 RAD52 (0.39) RAD52GAAFFAR1PPARGKDM4E
SCHEMBL2928478 0.77 RAD52 (0.39) RAD52GAAFFAR1PPARGKDM4E
SCHEMBL6223226 0.76 GAA (0.43) RAD52GAAFFAR1KDM4EMAPT
Hydrochloric Acid SCHEMBL6504930 0.76 RAD52 (0.40) RAD52GAAFFAR1PPARGKDM4E
Hydrochloric Acid SCHEMBL6505005 0.76 RAD52 (0.38) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6923835-B2 Bis-para-phenylenediamine derivatives comprising a pyrrolidyl group and use of these derivatives for dyeing keratin fibres L'OREAL S.A. (FR) 2005-08-02 US disclosed