SCHEMBL25733707

SCHEMBL25733707

Clc1ccc2sc3ccc4oc5c6ccccc6ccc5c4c3c2c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.43
▸ CYP1A1 P04798 8/20 0.42
▸ CYP1A2 P05177 8/20 0.42
▸ CYP1B1 Q16678 8/20 0.42
▸ AHR P35869 5/20 0.38
▸ IKBKB O14920 1/20 0.38
▸ HTT P42858 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ KMT2A Q03164 1/20 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
SCHEMBL25733693 0.92 CYP1A1 (0.42) KDM4ECYP1A1CYP1A2CYP1B1AHR
SCHEMBL25281652 0.90 KDM4E (0.43) KDM4ECYP1A1CYP1A2CYP1B1AHR
SCHEMBL25279454 0.87 KDM4E (0.46) KDM4ECYP1A1CYP1A2CYP1B1AHR
SCHEMBL24519124 0.84 AHR (0.51) CYP1A1CYP1A2CYP1B1AHRHTT
SCHEMBL25645295 0.82 AHR (0.38) KDM4ECYP1A1CYP1A2CYP1B1AHR
SCHEMBL25733722 0.81 KDM4E (0.50) KDM4ECYP1A1CYP1A2CYP1B1MAPT
SCHEMBL25733787 0.81 AHR (0.51) KDM4EAHRALDH1A1HPGDMAPT
SCHEMBL19081799 0.81 CYP1A1 (0.43) KDM4ECYP1A1CYP1A2CYP1B1IKBKB
SCHEMBL25733714 0.81 CYP1A2 (0.40) KDM4ECYP1A1CYP1A2CYP1B1AHR
SCHEMBL25733703 0.81 CYP1A2 (0.40) KDM4ECYP1A1CYP1A2CYP1B1AHR

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-2023113333-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE 삼성에스디아이 주식회사 2023-06-22 — — WO disclosed
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