SCHEMBL7709939

SCHEMBL7709939

Nc1ccccc1-c1ccc2cc3ccccc3cc2c1-c1ccccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HSD17B10 Q99714 5/20 0.39
CYP3A4 P08684 3/20 0.39
HIF1A Q16665 2/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HBB P68871 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CES1 P23141 1/20 0.38
CYP1B1 Q16678 1/20 0.38
GAA P10253 4/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 2/20 0.37
RCE1 Q9Y256 2/20 0.37
DNMT1 P26358 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 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
SCHEMBL27489240 0.90 ALDH1A1 (0.44) ALDH1A1L3MBTL1HSD17B10CYP3A4HIF1A
SCHEMBL9131092 0.83 DNMT1 (0.47) ALDH1A1L3MBTL1HSD17B10CYP3A4HIF1A
SCHEMBL19326644 0.82 ALDH1A1 (0.38) ALDH1A1L3MBTL1HSD17B10CYP3A4HIF1A
SCHEMBL2848295 0.81 ALDH1A1 (0.54) ALDH1A1L3MBTL1HSD17B10CYP3A4HIF1A
SCHEMBL12219504 0.81 ALDH1A1 (0.48) ALDH1A1L3MBTL1HSD17B10CYP3A4HIF1A
SCHEMBL29410607 0.79 CES1 (0.44) ALDH1A1L3MBTL1HSD17B10CYP3A4HIF1A
SCHEMBL3869266 0.79 CES1 (0.44) ALDH1A1L3MBTL1HSD17B10CYP3A4HIF1A
SCHEMBL29810631 0.78 CES1 (0.43) ALDH1A1L3MBTL1HSD17B10CYP3A4HIF1A
SCHEMBL28235937 0.77 ESR1 (0.38) ALDH1A1HSD17B10CYP3A4HIF1AALOX15
SCHEMBL243631 0.76 ALDH1A1 (0.48) ALDH1A1L3MBTL1HSD17B10HIF1ACASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6361885-B1 ANODES AND CATHODES FOR ELECTROLUMINESCENT DEVICE ORGANIC DISPLAY TECHNOLOGY 2002-03-26 US disclosed
WO-2000031208-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES ORGANIC DISPLAY TECHNOLOGY (US) 2000-06-02 WO disclosed
EP-0361377-A2 Pervaporation method of separating liquid organic compound mixture through aromatic imide polymer asymmetric membrane UBE INDUSTRIES, LTD. (JP) 1990-04-04 EP disclosed