SCHEMBL6504795

SCHEMBL6504795

Cc1cc(N2CCC(NCCNC3CCN(c4ccc(N)c(C)c4)C3)C2)ccc1N

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
RAD52 P43351 1/20 0.51
HRH4 Q9H3N8 14/20 0.39
LGMN Q99538 1/20 0.39
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
AKT1 P31749 1/20 0.38
VCP P55072 1/20 0.37
USP28 Q96RU2 1/20 0.37
USP25 Q9UHP3 1/20 0.37

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
SCHEMBL2636674 0.86 GAA (0.44) GAARAD52LGMNTMEM97SIGMAR1
SCHEMBL6504093 0.83 GAA (0.44) GAARAD52HRH4LGMNTMEM97
SCHEMBL6222105 0.82 GAA (0.51) GAARAD52HRH4LGMNVCP
SCHEMBL2126969 0.81 GAA (0.44) GAARAD52HRH4LGMNTMEM97
SCHEMBL6285772 0.81 AKT1 (0.48) GAARAD52AKT1
SCHEMBL6220522 0.81 GAA (0.47) GAARAD52HRH4LGMNVCP
SCHEMBL12324528 0.81 GAA (0.47) GAARAD52HRH4LGMNUSP28
SCHEMBL2923335 0.81 GAA (0.38) GAARAD52HRH4LGMNVCP
Hydrochloric Acid SCHEMBL4627803 0.80 GAA (0.43) GAARAD52HRH4LGMN
Hydrochloric Acid SCHEMBL4627790 0.80 GAA (0.43) GAARAD52HRH4LGMN

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