SCHEMBL5356451

SCHEMBL5356451

O=[N+]([O-])c1ccc(/N=N/c2ccc(O)c3ccccc23)c(Cl)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
MAPT P10636 4/20 0.53
LMNA P02545 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
MAPK1 P28482 2/20 0.53
PKM P14618 1/20 0.53
BLM P54132 1/20 0.53
MCL1 Q07820 1/20 0.53
NLRP3 Q96P20 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HPGD P15428 4/20 0.46
CTSB P07858 1/20 0.45
HSD17B10 Q99714 2/20 0.45
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
HTT P42858 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
GAA P10253 2/20 0.44

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
SCHEMBL5356454 1.00 ALDH1A1 (0.53) ALDH1A1MAPTLMNANPSR1MAPK1
SCHEMBL24187595 0.85 ALDH1A1 (0.55) ALDH1A1MAPTLMNANPSR1MAPK1
SCHEMBL12061828 0.85 PDE7A (0.49) ALDH1A1MAPTLMNANPSR1MAPK1
SCHEMBL14680452 0.85 ALDH1A1 (0.55) ALDH1A1MAPTLMNANPSR1MAPK1
SCHEMBL29350795 0.84 CYP1A2 (0.56) ALDH1A1MAPTLMNANPSR1MAPK1
SCHEMBL306051 0.84 CYP1A2 (0.56) ALDH1A1MAPTLMNANPSR1MAPK1
SCHEMBL306052 0.84 CYP1A2 (0.56) ALDH1A1MAPTLMNANPSR1MAPK1
SCHEMBL2374448 0.82 MAPT (0.61) ALDH1A1MAPTLMNANPSR1MAPK1
SCHEMBL31723878 0.82 MAPT (0.61) ALDH1A1MAPTLMNANPSR1MAPK1
SCHEMBL2374446 0.82 MAPT (0.61) ALDH1A1MAPTLMNANPSR1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7306632-B2 Leave-in color conditioner HAIRMARKER LLC (US) 2007-12-11 US disclosed
US-20050198746-A1 Leave-in color conditioner HAIRMARKER LLC 2005-09-15 US disclosed