SCHEMBL7770381

SCHEMBL7770381

Cc1ccccc1/N=N/Nc1ccc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
CYP3A4 P08684 3/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
HIF1A Q16665 2/20 0.41
HPGD P15428 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 2/20 0.39
PKLR P30613 1/20 0.39
NPC1 O15118 7/20 0.38
RAB9A P51151 7/20 0.38
MEN1 O00255 8/20 0.38
KMT2A Q03164 8/20 0.38
MAPT P10636 4/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 2/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 2/20 0.37

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
SCHEMBL4751886 1.00 ALDH1A1 (0.41) ALDH1A1CYP3A4HSD17B10CYP1A2CYP2C19
SCHEMBL11015269 0.80 MAPT (0.43) ALDH1A1CYP3A4HPGDCYP2C9PKM
SCHEMBL4751885 0.77 NPC1 (0.49) ALDH1A1CYP3A4HSD17B10CYP1A2CYP2C19
SCHEMBL6665400 0.76 CYP1B1 (0.62) ALDH1A1CYP3A4HSD17B10CYP1A2CYP2C19
SCHEMBL22062131 0.76 MEN1 (0.50) ALDH1A1CYP3A4HSD17B10CYP1A2CYP2C19
SCHEMBL6665397 0.76 CYP1B1 (0.62) ALDH1A1CYP3A4HSD17B10CYP1A2CYP2C19
SCHEMBL22062007 0.75 MEN1 (0.44) ALDH1A1CYP3A4HSD17B10CYP1A2CYP2C19
SCHEMBL24133230 0.72 SIGMAR1 (0.49) ALDH1A1CYP3A4HPGDCYP2C9NPC1
SCHEMBL2003785 0.72 SIGMAR1 (0.49) ALDH1A1CYP3A4HPGDCYP2C9NPC1
SCHEMBL13241362 0.69 CYP2C9 (0.44) ALDH1A1CYP3A4HPGDCYP2C9NPC1

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
EP-1121500-A1 METHOD AND APPARATUS FOR HELPING TO ASSURE THE WASHING OF HANDS Lynn, John M. (US) 2001-08-08 EP disclosed
WO-2000022260-A1 METHOD AND APPARATUS FOR HELPING TO ASSURE THE WASHING OF HANDS LYNN JOHN M (US) 2000-04-20 WO disclosed