SCHEMBL25645295

SCHEMBL25645295

Clc1ccc2c(c1)sc1ccc3c(oc4ccc5ccccc5c43)c12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 6/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CYP1A1 P04798 9/20 0.37
▸ CYP1A2 P05177 9/20 0.37
▸ CYP1B1 Q16678 8/20 0.37
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ MAPK3 P27361 1/20 0.35
▸ PAX8 Q06710 1/20 0.35
▸ ABCG2 Q9UNQ0 1/20 0.35
▸ BCL2 P10415 1/20 0.34
▸ BCL2L1 Q07817 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ BAD Q92934 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34

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
SCHEMBL25281652 0.92 KDM4E (0.43) AHRKDM4ECYP1A1CYP1A2CYP1B1
SCHEMBL25733693 0.90 CYP1A1 (0.42) AHRKDM4ECYP1A1CYP1A2CYP1B1
SCHEMBL25276994 0.87 CYP1A1 (0.44) AHRKDM4ECYP1A1CYP1A2CYP1B1
SCHEMBL22174350 0.85 KDM4E (0.46) AHRKDM4ECYP1A1CYP1A2CYP1B1
SCHEMBL31364126 0.85 KDM4E (0.46) AHRKDM4ECYP1A1CYP1A2CYP1B1
SCHEMBL25276101 0.84 AHR (0.53) AHRKDM4ETP53MAPT
SCHEMBL25733707 0.82 KDM4E (0.43) AHRKDM4ECYP1A1CYP1A2CYP1B1
SCHEMBL25640541 0.81 ABCG2 (0.35) AHRKDM4ECYP1A1CYP1A2CYP1B1
SCHEMBL19081808 0.81 CYP1A1 (0.38) AHRCYP1A1CYP1A2CYP1B1TDP1
SCHEMBL25271971 0.81 AHR (0.38) AHRCYP1A1CYP1A2CYP1B1TDP1

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-2023113334-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DIODE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DIODE, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE 삼성에스디아이 주식회사 2023-06-22 — — WO disclosed
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