SCHEMBL24647450

SCHEMBL24647450

CC1(C)c2ccccc2C2(c3ccccc3-c3ccc(-c4cccc(N(c5ccccc5)c5ccc6ccccc6c5)c4)cc32)c2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 12/20 0.34
▸ SLC6A2 P23975 2/20 0.32
▸ SLC6A4 P31645 2/20 0.32
▸ SLC6A3 Q01959 2/20 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
▸ CHRNB4 P30926 1/20 0.30
▸ CHRNA3 P32297 1/20 0.30
▸ CHRNA4 P43681 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
SCHEMBL24647568 0.99 PDK2 (0.36) PDK2SLC6A2SLC6A4SLC6A3HSD17B1
SCHEMBL21559323 0.99 PDK2 (0.34) PDK2SLC6A2SLC6A4SLC6A3HSD17B1
SCHEMBL21923940 0.99 PDK2 (0.36) PDK2SLC6A2SLC6A4SLC6A3HSD17B1
SCHEMBL21559076 0.97 PDK2 (0.36) PDK2SLC6A2SLC6A4SLC6A3HSD17B1
SCHEMBL21559327 0.97 PDK2 (0.36) PDK2SLC6A2SLC6A4SLC6A3HSD17B1
SCHEMBL21559329 0.95 PDK2 (0.36) PDK2SLC6A2SLC6A4SLC6A3
SCHEMBL21923962 0.95 PDK2 (0.39) PDK2SLC6A2SLC6A4SLC6A3
SCHEMBL24904644 0.94 PDK2 (0.34) PDK2
SCHEMBL24905423 0.94 PDK2 (0.36) PDK2SLC6A2SLC6A4SLC6A3HSD17B1
SCHEMBL23349313 0.93 PDK2 (0.39) PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230024114-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2023-01-26 — — US disclosed
US-20220376178-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2022-11-24 — — US disclosed
Send feedback