SCHEMBL24969174

SCHEMBL24969174

CC1(C)c2cc(Nc3ccc(-c4ccccc4)c(-c4ccccc4)c3)ccc2-c2cccc(-c3ccccc3)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 3/20 0.42
▸ APP P05067 1/20 0.36
▸ MEN1 O00255 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ AR P10275 1/20 0.34
▸ FNTA P49354 3/20 0.33
▸ FNTB P49356 3/20 0.33
▸ ABCB1 P08183 1/20 0.33
▸ ABCC1 P33527 1/20 0.33
▸ ABCG2 Q9UNQ0 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ RARB P10826 1/20 0.32
▸ RARG P13631 1/20 0.32
▸ RXRA P19793 1/20 0.32
▸ PGGT1B P53609 2/20 0.32
▸ CYP17A1 P05093 1/20 0.32
▸ PTGS2 P35354 1/20 0.31
▸ FSHR P23945 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
SCHEMBL21582649 0.88 PDK2 (0.47) PDK2APPMEN1ALDH1A1MAPT
SCHEMBL25125670 0.87 PDK2 (0.38) PDK2MEN1ALDH1A1KMT2ANPSR1
SCHEMBL25125671 0.86 PDK2 (0.37) PDK2MEN1ALDH1A1KMT2ARARB
SCHEMBL24968671 0.86 MAPT (0.38) PDK2APPMEN1ALDH1A1MAPT
SCHEMBL17777754 0.86 PDK2 (0.45) PDK2APPMEN1ALDH1A1MAPT
SCHEMBL31245649 0.86 PDK2 (0.45) PDK2APPMEN1MAPTKMT2A
SCHEMBL16912960 0.84 PDK2 (0.46) PDK2APPMEN1ALDH1A1MAPT
SCHEMBL19597627 0.84 PDK2 (0.41) PDK2APPMEN1MAPTKMT2A
SCHEMBL18697121 0.83 PDK2 (0.41) PDK2MEN1MAPTKMT2ANPSR1
SCHEMBL19797541 0.83 PDK2 (0.42) PDK2APPFNTAFNTBABCB1

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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