SCHEMBL24969201

SCHEMBL24969201

Clc1ccc2oc3cccc(-c4ccc5sc6cccc(-c7ccccc7)c6c5c4)c3c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 5/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ ADORA3 P0DMS8 2/20 0.39
▸ TNKS O95271 1/20 0.39
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ LIMK1 P53667 1/20 0.36
▸ GABRP O00591 4/20 0.36
▸ GABRD O14764 4/20 0.36
▸ GABRA1 P14867 4/20 0.36
▸ GABRB1 P18505 4/20 0.36
▸ GABRG2 P18507 4/20 0.36
▸ GABRB3 P28472 4/20 0.36
▸ GABRA5 P31644 4/20 0.36
▸ GABRA3 P34903 4/20 0.36
▸ GABRA2 P47869 4/20 0.36
▸ GABRB2 P47870 4/20 0.36
▸ GABRA4 P48169 4/20 0.36
▸ GABRE P78334 4/20 0.36

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
SCHEMBL31616171 0.86 PIM1 (0.39) AHRLIMK1WEE1CHEK1
SCHEMBL25098932 0.86 AHR (0.51) AHRKDM4ETNKSKMT2AGABRP
SCHEMBL24778315 0.85 KDM4E (0.49) KDM4EKMT2ALIMK1CYP1A2WEE1
SCHEMBL22045662 0.85 KDM4E (0.51) KDM4EKMT2ALIMK1CYP1A2WEE1
SCHEMBL25459464 0.84 LIMK1 (0.37) LIMK1WEE1CHEK1
SCHEMBL24777782 0.84 AHR (0.51) AHRKDM4EADORA3TNKSCA1
SCHEMBL30203600 0.84 AHR (0.54) AHRKDM4EADORA3TNKSCA1
SCHEMBL24390462 0.84 AHR (0.54) AHRKDM4EADORA3TNKSCA1
SCHEMBL23138925 0.83 LIMK1 (0.36) ADORA3KMT2ALIMK1
SCHEMBL25459472 0.82 PIM3 (0.36) LIMK1

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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