SCHEMBL3373651

SCHEMBL3373651

NN(c1cc[c]cc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPSR1 Q6W5P4 1/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 2/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
C1S P09871 1/20 0.31
PRSS3 P35030 1/20 0.31
RECQL P46063 1/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31

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
Water SCHEMBL8817645 0.87 ALDH1A1 (0.43) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL1792016 0.84 ALDH1A1 (0.46) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL193916 0.84 ALDH1A1 (0.46) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
Ammonia Solution, Strong SCHEMBL28763213 0.81 ALDH1A1 (0.43) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL250009 0.81 ALDH1A1 (0.43) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
Ammonia Solution, Strong SCHEMBL28873134 0.81 ALDH1A1 (0.43) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL128447 0.79 ALDH1A1 (0.50) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL1718427 0.78 ALDH1A1 (0.42) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL2197231 0.77 ALDH1A1 (0.54) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL6152609 0.77 ALDH1A1 (0.54) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1642567-B1 Colouring composition comprising naphthoylene-benzimidazolium compound as direct dye, preparation and uses OREAL (FR) 2010-11-03 EP claimed
US-20060085923-A1 Dye composition comprising a naphthoylene-benzimidazolium direct dye, process for dyeing keratin fibers and uses thereof L'OREAL S.A. (FR) 2006-04-27 US claimed
EP-1642567-A1 Colouring composition comprising nyphthoylene-benzimidazolium compound as direct dye, preparation and uses L'OREAL (FR) 2006-04-05 EP claimed
EP-1642567-B1 Colouring composition comprising naphthoylene-benzimidazolium compound as direct dye, preparation and uses OREAL (FR) 2010-11-03 EP disclosed
US-20060085923-A1 Dye composition comprising a naphthoylene-benzimidazolium direct dye, process for dyeing keratin fibers and uses thereof L'OREAL S.A. (FR) 2006-04-27 US disclosed
EP-1642567-A1 Colouring composition comprising nyphthoylene-benzimidazolium compound as direct dye, preparation and uses L'OREAL (FR) 2006-04-05 EP disclosed
EP-1642567-A1 Colouring composition comprising nyphthoylene-benzimidazolium compound as direct dye, preparation and uses L'OREAL (FR) 2006-04-05 EP disclosed