SCHEMBL24886394

SCHEMBL24886394

Clc1cccc(-c2ccc3oc4ccc5sc6ccccc6c5c4c3c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 4/20 0.42
▸ GABRD O14764 4/20 0.42
▸ GABRA1 P14867 4/20 0.42
▸ GABRB1 P18505 4/20 0.42
▸ GABRG2 P18507 4/20 0.42
▸ GABRB3 P28472 4/20 0.42
▸ GABRA5 P31644 4/20 0.42
▸ GABRA3 P34903 4/20 0.42
▸ GABRA2 P47869 4/20 0.42
▸ GABRB2 P47870 4/20 0.42
▸ GABRA4 P48169 4/20 0.42
▸ GABRE P78334 4/20 0.42
▸ GABRA6 Q16445 4/20 0.42
▸ GABRG1 Q8N1C3 4/20 0.42
▸ GABRG3 Q99928 4/20 0.42
▸ GABRQ Q9UN88 4/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ AHR P35869 2/20 0.38
▸ PGR P06401 1/20 0.37
▸ LIMK1 P53667 1/20 0.37

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
SCHEMBL24886414 0.90 KDM4E (0.42) KDM4EAHRLIMK1PLA2G2APLA2G4A
SCHEMBL24519121 0.86 KDM4E (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13935957 0.84 PLA2G2A (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17932249 0.84 PLA2G2A (0.40) KDM4EPGRLIMK1PIM3PLA2G10
SCHEMBL17944775 0.83 PLA2G2A (0.40) PGRLIMK1PIM3PLA2G10PLA2G2A
SCHEMBL24518912 0.82 MAPT (0.38) KDM4EAHRNPC1RAB9ASMN1; SMN2
SCHEMBL9889887 0.81 PLA2G2A (0.42) KDM4EPGRLIMK1NPC1RAB9A
SCHEMBL26492280 0.81 PLA2G2A (0.37) LIMK1PIM3PLA2G10PLA2G2APLA2G4A
SCHEMBL30249741 0.80 KDM4E (0.51) KDM4EPGRLIMK1MAP4K4RAB9A
SCHEMBL24156093 0.80 KDM4E (0.51) KDM4EPGRLIMK1MAP4K4RAB9A

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-2023284352-A1 ORGANIC COMPOUND CONTAINING HETEROCYCLIC RING, AND MIXTURE AND ORGANIC ELECTRONIC DEVICE 广州华睿光电材料有限公司 2023-01-19 — — WO disclosed
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