SCHEMBL24745014

SCHEMBL24745014

CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4cccc5c4c3-c3ccc(-c4ccc6ccccc6c4)cc3C5(C)C)cc21

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.34
LPL P06858 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
CHRNA1 P02708 1/20 0.30
CHRNG P07510 1/20 0.30
CHRNB1 P11230 1/20 0.30
CHRNB2 P17787 1/20 0.30
SLC6A2 P23975 1/20 0.30
CHRNB4 P30926 1/20 0.30
SLC6A4 P31645 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
SLC6A3 Q01959 1/20 0.30
CHRND Q07001 1/20 0.30

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
SCHEMBL24745013 0.97 PDK2 (0.32) PDK2LPLLIPG
SCHEMBL24744606 0.97 PDK2 (0.36) PDK2
SCHEMBL24744207 0.97 PDK2 (0.36) PDK2
SCHEMBL24744186 0.97 PDK2 (0.36) PDK2
SCHEMBL24744178 0.96 PDK2 (0.35) PDK2
SCHEMBL24745021 0.96 PDK2 (0.32) PDK2LPLLIPGHSD17B1HSD17B2
SCHEMBL24744181 0.96 PDK2 (0.36) PDK2
SCHEMBL24744571 0.95 PDK2 (0.32) PDK2
SCHEMBL24744608 0.95 PDK2 (0.37) PDK2
SCHEMBL24745015 0.95 LPL (0.34) PDK2LPLLIPGHSD17B1HSD17B2

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
WO-2022260240-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 엘티소재주식회사 2022-12-15 WO disclosed