SCHEMBL23637461

SCHEMBL23637461

c1ccc(-c2ccc(Nc3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3N4c3ccccc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 3/20 0.43
▸ PDK2 Q15119 2/20 0.40
▸ GNG2 P59768 2/20 0.40
▸ GNB1 P62873 2/20 0.40
▸ ADAMTS5 Q9UNA0 1/20 0.34
▸ PDE6D O43924 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ GFER P55789 1/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CES2 O00748 1/20 0.31
▸ BCHE P06276 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ CES1 P23141 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ TNK2 Q07912 1/20 0.31
▸ NR1H2 P55055 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
SCHEMBL22891464 0.94 PDK2 (0.46) PGRPDK2GNG2GNB1ADAMTS5
SCHEMBL22891763 0.93 GNG2 (0.40) PGRPDK2GNG2GNB1ADAMTS5
SCHEMBL22891638 0.89 PDK2 (0.40) PGRPDK2GNG2GNB1ADAMTS5
SCHEMBL22891640 0.89 PDK2 (0.40) PGRPDK2GNG2GNB1ADAMTS5
SCHEMBL22891467 0.88 PDK2 (0.49) PGRPDK2GNG2GNB1HSP90AA1
SCHEMBL29334608 0.88 PDK2 (0.41) PGRPDK2GNG2GNB1ADAMTS5
SCHEMBL22661653 0.86 PDK2 (0.35) PGRPDK2GNG2GNB1ADAMTS5
SCHEMBL22891764 0.86 GNG2 (0.45) PGRPDK2GNG2GNB1ADAMTS5
SCHEMBL22891468 0.86 PDK2 (0.43) PGRPDK2GNG2GNB1HSP90AA1
SCHEMBL24969755 0.84 PGR (0.38) PGRPDK2GNG2GNB1APP

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-2021141356-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-07-15 — — WO disclosed
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