SCHEMBL25730767

SCHEMBL25730767

c1ccc2c(-c3ccc(N(c4ccc5c(c4)oc4ccccc45)c4ccc5sc6ccc7oc8c9ccccc9ccc8c7c6c5c4)cc3)cccc2c1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.32
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ CYP1A1 P04798 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP1B1 Q16678 1/20 0.30

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
SCHEMBL25730768 0.97 ALOX5 (0.32) ALOX5CA12CA1CA2CA9
SCHEMBL25731518 0.95 ALOX5 (0.32) ALOX5CA12CA1CA2CA9
SCHEMBL25731328 0.94 ALOX5 (0.32) ALOX5CA12CA1CA2CA9
SCHEMBL25730655 0.93 CYP1A1 (0.34) CA12CA1CA2CA9CYP1A1
SCHEMBL25730737 0.92 CYP1A1 (0.34) CA12CA1CA2CA9CYP1A1
SCHEMBL25730700 0.92 CA12 (0.32) CA12CA1CA2CA9CYP1A1
SCHEMBL25730667 0.92 CA12 (0.32) CA12CA1CA2CA9CYP1A1
SCHEMBL25730719 0.92 CYP1A1 (0.34) CYP1A1CYP1A2CYP1B1
SCHEMBL25730797 0.91 CA12 (0.30) CA12CA1CA2CA9
SCHEMBL25730779 0.91 ALOX5 (0.33) ALOX5CA12CA1CA2CA9

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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