SCHEMBL6945904

SCHEMBL6945904

CC(CNc1cccc(N)c1)Nc1cccc(N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 3/20 0.42
DDX3X O00571 2/20 0.41
RAPGEF4 Q8WZA2 1/20 0.40
MAPK1 P28482 1/20 0.38
ADRB2 P07550 5/20 0.37
CYP3A4 P08684 2/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
CASP1 P29466 1/20 0.37
RECQL P46063 1/20 0.37
NR4A1 P22736 1/20 0.36
HTR6 P50406 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
Hydrochloric Acid SCHEMBL6937940 0.98 MAPT (0.42) MAPTKDM4EMEN1LMNAGAA
SCHEMBL29922436 0.84 MAPT (0.47) MAPTKDM4EMEN1LMNAGAA
SCHEMBL15516467 0.84 MAPT (0.47) MAPTKDM4EMEN1LMNAGAA
SCHEMBL11765238 0.82 ALDH1A1 (0.55) MAPTKDM4EMEN1LMNAGAA
SCHEMBL29922614 0.81 MAPT (0.44) MAPTKDM4EMEN1LMNAGAA
SCHEMBL14320427 0.81 ALDH1A1 (0.47) MAPTKDM4EMEN1LMNAGAA
SCHEMBL7174664 0.81 ALDH1A1 (0.47) MAPTKDM4EMEN1LMNAGAA
SCHEMBL21799995 0.81 MAPT (0.44) MAPTKDM4EMEN1LMNAGAA
SCHEMBL21799475 0.81 ALDH1A1 (0.54) MAPTKDM4EMEN1LMNAGAA
SCHEMBL21799972 0.79 MAPT (0.43) MAPTKDM4EMEN1LMNAGAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1301496-A2 NOVEL COUPLING COMPONENTS FOR OXIDATION COLOURING AGENTS Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-16 EP claimed
WO-2002006207-A2 NOVEL COUPLING COMPONENTS FOR OXIDATION COLOURING AGENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-01-24 WO claimed
EP-1301496-A2 NOVEL COUPLING COMPONENTS FOR OXIDATION COLOURING AGENTS Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-16 EP disclosed
WO-2002006207-A2 NOVEL COUPLING COMPONENTS FOR OXIDATION COLOURING AGENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-01-24 WO disclosed