SCHEMBL27451298

SCHEMBL27451298

Clc1ccc2c(c1)oc1cccc(-c3cccc4sc5c6ccccc6ccc5c34)c12

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 4/20 0.48
▸ CYP1A1 P04798 11/20 0.43
▸ CYP1B1 Q16678 11/20 0.43
▸ CYP1A2 P05177 9/20 0.43
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ ESR2 Q92731 1/20 0.32

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
SCHEMBL27451299 0.86 L3MBTL1 (0.35) AHRCYP1A1CYP1B1CYP1A2TDP1
SCHEMBL24778786 0.83 AHR (0.60) AHRCYP1A1CYP1B1CYP1A2TDP1
SCHEMBL25733719 0.81 CYP1A1 (0.48) AHRCYP1A1CYP1B1CYP1A2L3MBTL1
SCHEMBL25733723 0.81 CYP1B1 (0.44) CYP1A1CYP1B1CYP1A2L3MBTL1KDM4E
SCHEMBL22760344 0.80 AHR (0.73) AHRKDM4E
SCHEMBL24193233 0.80 L3MBTL1 (0.35) AHRCYP1A1CYP1B1CYP1A2TDP1
SCHEMBL24212096 0.79 AHR (0.51) AHRCYP1A1CYP1B1CYP1A2TDP1
SCHEMBL24952193 0.78 AHR (0.40) AHRCYP1A1CYP1B1CYP1A2L3MBTL1
SCHEMBL25733724 0.78 CYP1B1 (0.42) CYP1A1CYP1B1CYP1A2KDM4E
SCHEMBL25733720 0.78 CYP1A1 (0.42) CYP1A1CYP1B1CYP1A2L3MBTL1KDM4E

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-2024144086-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2024-07-04 — — WO disclosed
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