SCHEMBL24647812

SCHEMBL24647812

c1csc(-c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.58
▸ SLC6A11 P48066 1/20 0.48
▸ KCNH2 Q12809 1/20 0.46
▸ PGR P06401 2/20 0.43
▸ ERN1 O75460 1/20 0.40
▸ LTA4H P09960 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ RPS6KB2 Q9UBS0 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ LPL P06858 1/20 0.36
▸ LIPG Q9Y5X9 1/20 0.36
▸ PRMT6 Q96LA8 1/20 0.36
▸ HDAC3 O15379 2/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC2 Q92769 2/20 0.36

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
SCHEMBL21868318 0.93 PDK2 (0.52) PDK2SLC6A11KCNH2PGRERN1
SCHEMBL21868266 0.89 PDK2 (0.65) PDK2SLC6A11KCNH2PGRERN1
SCHEMBL21868055 0.86 PDK2 (0.56) PDK2SLC6A11KCNH2PGRERN1
SCHEMBL24647700 0.86 PDK2 (0.55) PDK2SLC6A11KCNH2PGRLTA4H
SCHEMBL21867476 0.85 PDK2 (0.46) PDK2SLC6A11KCNH2PGRERN1
SCHEMBL24293168 0.82 PDK2 (0.51) PDK2SLC6A11KCNH2PGRLTA4H
SCHEMBL24647024 0.80 PDK2 (0.49) PDK2SLC6A11KCNH2PGRLTA4H
SCHEMBL10053687 0.80 PDK2 (0.51) PDK2SLC6A11KCNH2PGRERN1
SCHEMBL21867491 0.80 PDK2 (0.41) PDK2SLC6A11KCNH2PGRKDM4E
SCHEMBL15591060 0.78 PDK2 (0.50) PDK2SLC6A11KCNH2PGRERN1

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
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