SCHEMBL31074756

SCHEMBL31074756

CC1(C)OB(c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(C56CC7CC(CC(C7)C5)C6)c4)n3)c2)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
LIPG Q9Y5X9 5/20 0.40
LPL P06858 4/20 0.40
HIF1A Q16665 1/20 0.38
TSHR P16473 3/20 0.36
HSD11B1 P28845 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
GFER P55789 1/20 0.32
KMT2A Q03164 1/20 0.32
SERPINE1 P05121 1/20 0.31
ALDH1A1 P00352 2/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
GBA1 P04062 1/20 0.31

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
SCHEMBL31074752 0.94 HTT (0.44) HTTLIPGLPLHIF1ATSHR
SCHEMBL25709671 0.85 LIPG (0.50) HTTLIPGLPLHIF1ATSHR
SCHEMBL25709715 0.85 TSHR (0.49) HTTLIPGLPLHIF1ATSHR
SCHEMBL25709660 0.84 LIPG (0.49) HTTLIPGLPLHIF1ATSHR
SCHEMBL31074746 0.84 LIPG (0.54) HTTLIPGLPLHIF1ATSHR
SCHEMBL25709657 0.84 LIPG (0.54) HTTLIPGLPLHIF1ATSHR
SCHEMBL20853361 0.83 HIF1A (0.46) LIPGLPLHIF1ANPC1MEN1
SCHEMBL15428034 0.83 LIPG (0.56) LIPGLPLMEN1KMT2AALDH1A1
SCHEMBL29656796 0.83 LIPG (0.56) LIPGLPLMEN1KMT2AALDH1A1
SCHEMBL10316202 0.83 LIPG (0.56) LIPGLPLMEN1KMT2AALDH1A1

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-20240292743-A1 LIGHT-EMITTING DEVICE INCLUDING HETEROCYCLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE HETEROCYCLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2024-08-29 US disclosed