SCHEMBL25640499

SCHEMBL25640499

c1ccc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccc3c(c2)sc2ccc4c(oc5ccc6ccccc6c54)c23)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.39
▸ PRKDC P78527 1/20 0.33
▸ PTGES2 Q9H7Z7 1/20 0.31
▸ GGPS1 O95749 1/20 0.31
▸ CYP1A1 P04798 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ FYN P06241 1/20 0.31
▸ MAPK3 P27361 1/20 0.31
▸ AHR P35869 1/20 0.31
▸ PAX8 Q06710 1/20 0.31
▸ ABCG2 Q9UNQ0 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL25640520 0.96 ALOX5 (0.36) ALOX5PRKDCPTGES2GGPS1CYP1A1
SCHEMBL25640069 0.95 ALOX5 (0.38) ALOX5PRKDCPTGES2GGPS1CYP1A1
SCHEMBL25640642 0.94 ALOX5 (0.39) ALOX5PRKDCPTGES2GGPS1CYP1A1
SCHEMBL25640491 0.93 ALOX5 (0.36) ALOX5PRKDCPTGES2GGPS1CYP1A1
SCHEMBL25885714 0.93 ALOX5 (0.40) ALOX5PRKDCPTGES2GGPS1CYP1A1
SCHEMBL25645291 0.92 AHR (0.33) PRKDCCYP1A1CYP1A2FYNMAPK3
SCHEMBL25640107 0.92 ALOX5 (0.36) ALOX5PRKDCPTGES2GGPS1CYP1A1
SCHEMBL25886082 0.92 ALOX5 (0.38) ALOX5PRKDCPTGES2GGPS1CYP1A1
SCHEMBL25640649 0.91 ALOX5 (0.36) ALOX5PRKDCPTGES2GGPS1CYP1A1
SCHEMBL25640576 0.91 ALOX5 (0.39) ALOX5PRKDCPTGES2GGPS1

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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