SCHEMBL6505403

SCHEMBL6505403

Cc1cc(N2CCCC2C2CCCN2c2ccc(N)cc2)ccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.43
RAD52 P43351 4/20 0.43
MAPT P10636 7/20 0.38
KDM4E B2RXH2 5/20 0.38
THRB P10828 4/20 0.37
ALDH1A1 P00352 6/20 0.35
TDP1 Q9NUW8 3/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
POLB P06746 2/20 0.35
ALOX15 P16050 2/20 0.35
HTT P42858 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
RECQL P46063 2/20 0.35
NPC1 O15118 1/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL6494087 0.83 MAPT (0.47) GAARAD52MAPTKDM4ETHRB
SCHEMBL15148613 0.81 RAD52 (0.45) GAARAD52MAPTKDM4ETHRB
SCHEMBL6697927 0.77 RAD52 (0.41) GAARAD52MAPTKDM4ETHRB
SCHEMBL6290240 0.76 GAA (0.43) GAARAD52MAPTKDM4ETHRB
SCHEMBL13638851 0.74 ADORA2A (0.45) GAARAD52FFAR1
SCHEMBL2926286 0.73 RAD52 (0.42) GAARAD52MAPTKDM4ETHRB
SCHEMBL6256196 0.72 RAD52 (0.40) GAARAD52MAPTKDM4ETHRB
SCHEMBL4297198 0.72 HRH3 (0.63) GAARAD52MAPTKDM4EHRH3
SCHEMBL27695209 0.72 RAD52 (0.43) GAARAD52MAPTKDM4ETHRB
SCHEMBL2885437 0.72 HRH3 (0.63) GAARAD52MAPTKDM4EHRH3

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