SCHEMBL24969186

SCHEMBL24969186

CC1(C)c2cc(-c3ccccc3)ccc2-c2cccc(Nc3ccc(-c4ccccc4)cc3)c21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 9/20 0.40
▸ MAPK13 O15264 1/20 0.38
▸ MAPK12 P53778 1/20 0.38
▸ MAPK11 Q15759 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ PTGER4 P35408 1/20 0.37
▸ AKR1C3 P42330 2/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ SIRT1 Q96EB6 1/20 0.36
▸ ALK Q9UM73 1/20 0.36
▸ MAPKAPK2 P49137 1/20 0.36
▸ PGR P06401 2/20 0.35
▸ RARA P10276 1/20 0.35
▸ RARB P10826 1/20 0.35
▸ RARG P13631 1/20 0.35
▸ STK10 O94804 1/20 0.34
▸ SLK Q9H2G2 1/20 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
SCHEMBL24969191 0.90 PDK2 (0.39) PDK2SIRT2SIRT1RARARARB
SCHEMBL24969305 0.90 PDK2 (0.36) PDK2MAPK13MAPK12MAPK11MAPK14
SCHEMBL24969713 0.90 PDK2 (0.39) PDK2SIRT2SIRT1RARARARB
SCHEMBL30076012 0.90 AKR1C3 (0.39) PDK2MAPK13MAPK12MAPK11MAPK14
SCHEMBL15892495 0.90 AKR1C3 (0.39) PDK2MAPK13MAPK12MAPK11MAPK14
SCHEMBL24969183 0.89 PTGER4 (0.37) MAPK13MAPK12MAPK11MAPK14PTGER4
SCHEMBL25125300 0.85 PDK2 (0.43) PDK2MAPK13MAPK12MAPK11MAPK14
SCHEMBL16383445 0.84 SIRT2 (0.46) PDK2AKR1C3SIRT2SIRT1ALK
SCHEMBL25125292 0.83 PDK2 (0.40) PDK2MAPK13MAPK12MAPK11MAPK14
SCHEMBL18034393 0.83 PDK2 (0.40) PDK2MAPK13MAPK12MAPK11MAPK14

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-2023003234-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2023-01-26 — — WO disclosed
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