SCHEMBL7896044

SCHEMBL7896044

CCc1cc(N)cc(CC)c1N.Nc1ccc(N)c(OCCO)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
KDM4E B2RXH2 4/20 0.45
KMT2A Q03164 3/20 0.45
POLB P06746 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.45
MAPK1 P28482 2/20 0.45
HSD17B10 Q99714 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HPGD P15428 1/20 0.45
GAA P10253 4/20 0.42
HTT P42858 3/20 0.42
USP2 O75604 2/20 0.42
TP53 P04637 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 1/20 0.42
CYP1A2 P05177 3/20 0.36
CYP2D6 P10635 2/20 0.36
SCN1A P35498 2/20 0.36

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
SCHEMBL33692 0.84 ALDH1A1 (0.46) MAPTKDM4EKMT2APOLBALDH1A1
SCHEMBL29393081 0.84 ALDH1A1 (0.46) MAPTKDM4EKMT2APOLBALDH1A1
Hydrochloric Acid SCHEMBL15301977 0.83 MAPT (0.49) MAPTKDM4EKMT2APOLBALDH1A1
Hydrochloric Acid SCHEMBL6739541 0.83 MAPT (0.49) MAPTKDM4EKMT2APOLBALDH1A1
SCHEMBL6734075 0.82 ALDH1A1 (0.44) MAPTKDM4EKMT2APOLBALDH1A1
SCHEMBL11709568 0.82 GAA (0.49) MAPTKDM4EKMT2APOLBALDH1A1
Sulfuric Acid SCHEMBL6947455 0.80 ALDH1A1 (0.47) MAPTKDM4EKMT2APOLBALDH1A1
SCHEMBL2791672 0.75 APP (0.51) MAPTKDM4EKMT2APOLBALDH1A1
SCHEMBL5792387 0.75 APP (0.51) MAPTKDM4EKMT2APOLBALDH1A1
SCHEMBL11705841 0.75 KDM4E (0.62) MAPTKDM4EKMT2APOLBALDH1A1

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-6179882-B1 OXIDATION COLOR DYES L'OREAL (FR) 2001-01-30 US disclosed