SCHEMBL15745342

SCHEMBL15745342

Brc1cc2ccccc2cc1C#Cc1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHAT P28329 1/20 0.46
GRM5 P41594 1/20 0.43
ALDH1A1 P00352 6/20 0.39
HSD17B10 Q99714 4/20 0.39
HIF1A Q16665 1/20 0.39
CYP1B1 Q16678 1/20 0.39
HRH3 Q9Y5N1 4/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MITF O75030 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
RAD52 P43351 1/20 0.36
ACACB O00763 1/20 0.35
TSHR P16473 2/20 0.34
CYP2A6 P11509 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP1A2 P05177 3/20 0.34

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
SCHEMBL13299893 0.92 CHAT (0.49) CHATGRM5ALDH1A1HSD17B10HIF1A
SCHEMBL13299915 0.91 CHAT (0.47) CHATGRM5ALDH1A1HSD17B10HIF1A
SCHEMBL12424796 0.82 CHAT (0.50) CHATGRM5ALDH1A1HSD17B10HRH3
SCHEMBL29661843 0.82 CHAT (0.60) CHATGRM5ALDH1A1HSD17B10HIF1A
SCHEMBL2776015 0.82 CHAT (0.60) CHATGRM5ALDH1A1HSD17B10HIF1A
SCHEMBL18607538 0.80 CHAT (0.42) CHATGRM5CYP1B1HRH3CA1
SCHEMBL6364668 0.80 CHAT (0.58) CHATGRM5ALDH1A1HSD17B10HIF1A
SCHEMBL13299885 0.77 APP (0.48) GRM5ALDH1A1HSD17B10CA1CA2
SCHEMBL15745351 0.76 CHAT (0.45) CHATGRM5ALDH1A1HSD17B10HIF1A
SCHEMBL28836680 0.76 ALDH1A1 (0.50) CHATGRM5ALDH1A1HSD17B10HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2765832-B1 Multicyclic aromatic compound and organic light emitting device using the same HEESUNG MAT LTD (KR) 2018-04-04 EP disclosed
US-9899600-B2 Multicyclic aromatic compound and organic light emitting device using the same HEESUNG MATERIAL LTD. (KR) 2018-02-20 US disclosed
US-20140145169-A1 MULTICYCLIC AROMATIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME HEESUNG MATERIAL LTD. (KR) 2014-05-29 US disclosed
US-20140145169-A1 MULTICYCLIC AROMATIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME HEESUNG MATERIAL LTD. (KR) 2014-05-29 US disclosed