SCHEMBL8540574

SCHEMBL8540574

NCC(=O)Nc1nc2ccccc2[nH]1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.69
ALDH1A1 P00352 4/20 0.69
MAPK1 P28482 1/20 0.69
HSD17B10 Q99714 1/20 0.69
NPC1 O15118 9/20 0.68
RAB9A P51151 9/20 0.68
SMN1; SMN2 Q16637 5/20 0.68
LMNA P02545 3/20 0.68
TP53 P04637 1/20 0.68
ALOX12 P18054 1/20 0.68
PKM P14618 1/20 0.66
MAOB P27338 1/20 0.66
ADORA2A P29274 1/20 0.66
SPHK2 Q9NRA0 1/20 0.63
SPHK1 Q9NYA1 1/20 0.63
KDM4E B2RXH2 1/20 0.63
MAPT P10636 1/20 0.62
HTT P42858 1/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61

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
SCHEMBL5897862 0.89 NPC1 (0.71) CYP3A4ALDH1A1MAPK1HSD17B10NPC1
SCHEMBL6234451 0.86 LMNA (0.72) CYP3A4ALDH1A1MAPK1HSD17B10NPC1
SCHEMBL7933620 0.86 ALDH1A1 (0.71) CYP3A4ALDH1A1MAPK1HSD17B10NPC1
SCHEMBL17830759 0.84 ALDH1A1 (0.69) CYP3A4ALDH1A1MAPK1HSD17B10NPC1
SCHEMBL11167021 0.84 NPC1 (0.72) CYP3A4ALDH1A1MAPK1HSD17B10NPC1
SCHEMBL28389973 0.84 ALDH1A1 (0.69) CYP3A4ALDH1A1MAPK1HSD17B10NPC1
SCHEMBL29500234 0.84 ALDH1A1 (0.69) CYP3A4ALDH1A1MAPK1HSD17B10NPC1
SCHEMBL29776932 0.82 CYP3A4 (1.00) CYP3A4ALDH1A1MAPK1HSD17B10NPC1
SCHEMBL707208 0.82 CYP3A4 (1.00) CYP3A4ALDH1A1MAPK1HSD17B10NPC1
SCHEMBL11584604 0.82 ALDH1A1 (1.00) CYP3A4ALDH1A1MAPK1HSD17B10NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5723288-A Method of fluorescent detection of nucleic acids and cytoskeleton elements using bis-dicationic aryl furans, and kits useful therefor THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1998-03-03 US disclosed
US-5667975-A Method of fluorescent detection of nucleic acids and cytoskeleton elements using bis-dicationic aryl furans THE UNIVERSITY OF NORTH CAROLINA 1997-09-16 US disclosed
EP-0758453-A1 METHOD OF FLUORESCENT DETECTION OF NUCLEIC ACIDS AND CYTOSKELETON ELEMENTS USING BIS-DICATIONIC ARYL FURANS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1997-02-19 EP disclosed
US-5594138-A MEDICAL DIAGNOSIS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION (US) 1997-01-14 US disclosed
WO-1996040997-A1 METHOD OF FLUORESCENT DETECTION OF NUCLEIC ACIDS AND CYTOSKELETON ELEMENTS USING BIS-DICATIONIC ARYL FURANS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-12-19 WO disclosed
WO-1995030901-A1 METHOD OF FLUORESCENT DETECTION OF NUCLEIC ACIDS AND CYTOSKELETON ELEMENTS USING BIS-DICATIONIC ARYL FURANS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1995-11-16 WO disclosed