SCHEMBL6734075

SCHEMBL6734075

Cc1cc(N)cc(C)c1N.Nc1ccc(N)c(OCCO)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
MAPT P10636 4/20 0.44
KDM4E B2RXH2 4/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 2/20 0.44
MAPK1 P28482 2/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 5/20 0.41
CASP1 P29466 3/20 0.41
TP53 P04637 2/20 0.41
HTT P42858 2/20 0.41
USP2 O75604 1/20 0.41
CASP7 P55210 1/20 0.41
ATM Q13315 1/20 0.41
PDE10A Q9Y233 1/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 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 0.87 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL29393081 0.87 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EKMT2AMEN1
Hydrochloric Acid SCHEMBL6739541 0.85 MAPT (0.49) ALDH1A1MAPTKDM4EKMT2AMEN1
Hydrochloric Acid SCHEMBL15301977 0.85 MAPT (0.49) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL7896044 0.82 MAPT (0.45) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL11691609 0.80 TSHR (0.44) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL6740328 0.80 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL11704652 0.80 KDM4E (0.47) ALDH1A1MAPTKDM4EKMT2AMEN1
Sulfuric Acid SCHEMBL6947455 0.80 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EKMT2AMEN1
Hydrochloric Acid SCHEMBL18243323 0.79 ALDH1A1 (0.59) ALDH1A1MAPTKDM4EKMT2AMEN1

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-6685750-B1 READY-TO-USE COMPOSITION COMPRISING AT LEAST ONE OXIDATION BASE, AT LEAST ONE AMMONIA-GENERATING 2-ELECTRON OXIDOREDUCTASE-TYPE ENZYME, AND AT LEAST ONE DONOR FOR ENZYME L'OREAL S.A. (FR) 2004-02-03 US disclosed