SCHEMBL24969183

SCHEMBL24969183

CC1(C)c2ccc(-c3ccccc3)cc2-c2cccc(Nc3ccc(-c4ccccc4)cc3)c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 1/20 0.37
▸ AKR1C3 P42330 4/20 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
▸ MAPK13 O15264 1/20 0.35
▸ MAPK12 P53778 1/20 0.35
▸ MAPK11 Q15759 1/20 0.35
▸ MAPK14 Q16539 1/20 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
▸ MEN1 O00255 4/20 0.34
▸ MAPT P10636 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ NPC1 O15118 3/20 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
SCHEMBL24969306 0.90 SIRT2 (0.34) PTGER4AKR1C3SIRT2SIRT1ALK
SCHEMBL15892495 0.90 AKR1C3 (0.39) PTGER4AKR1C3SIRT2SIRT1ALK
SCHEMBL30076012 0.90 AKR1C3 (0.39) PTGER4AKR1C3SIRT2SIRT1ALK
SCHEMBL24969186 0.89 PDK2 (0.40) PTGER4AKR1C3SIRT2SIRT1ALK
SCHEMBL24969713 0.87 PDK2 (0.39) SIRT2SIRT1RARARARBRARG
SCHEMBL24969191 0.87 PDK2 (0.39) SIRT2SIRT1RARARARBRARG
SCHEMBL14681411 0.85 PDK2 (0.37) PTGER4AKR1C3ALKMAPKAPK2MAPK13
SCHEMBL16383445 0.84 SIRT2 (0.46) AKR1C3SIRT2SIRT1ALKSTK10
SCHEMBL24969307 0.83 MAPK13 (0.38) PTGER4AKR1C3SIRT2SIRT1ALK
SCHEMBL16585704 0.82 PDK2 (0.41) PTGER4STK10SLKMEN1MAPT

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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