SCHEMBL24945475

SCHEMBL24945475

Nc1ccc(-c2ccccc2-c2cccc(-c3ccccc3)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.62
TAAR1 Q96RJ0 2/20 0.62
CYP3A4 P08684 2/20 0.62
TDP1 Q9NUW8 2/20 0.62
MAOA P21397 1/20 0.56
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
ALDH1A1 P00352 6/20 0.46
TP53 P04637 1/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
MAPT P10636 5/20 0.46
HPGD P15428 4/20 0.46
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
ALOX15 P16050 2/20 0.46
GLA P06280 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 3/20 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
SCHEMBL28053010 0.90 CYP3A4 (0.56) HSD17B10TAAR1CYP3A4TDP1MAOA
SCHEMBL14565868 0.89 TAAR1 (0.79) HSD17B10TAAR1CYP3A4TDP1MAOA
SCHEMBL30416624 0.89 HSD17B10 (0.79) HSD17B10TAAR1CYP3A4TDP1MAOA
SCHEMBL15468609 0.89 TAAR1 (0.79) HSD17B10TAAR1CYP3A4TDP1MAOA
SCHEMBL25301802 0.89 HSD17B10 (0.79) HSD17B10TAAR1CYP3A4TDP1MAOA
SCHEMBL18854844 0.89 MEN1 (0.50) HSD17B10CYP3A4MAOAALDH1A1MEN1
SCHEMBL28164997 0.89 HSD17B10 (0.79) HSD17B10TAAR1CYP3A4TDP1MAOA
SCHEMBL24079307 0.88 MAOA (0.57) HSD17B10TAAR1CYP3A4TDP1MAOA
SCHEMBL30216940 0.87 ALDH1A1 (0.50) HSD17B10MAOAALDH1A1MEN1KMT2A
SCHEMBL29618034 0.87 ALDH1A1 (0.50) HSD17B10MAOAALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230013038-A1 LIGHT EMITTING DEVICE AND AMINE COMPOUND FOR LIGHT EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-01-19 US disclosed