SCHEMBL25586448

SCHEMBL25586448

c1ccc(-c2cccc3c2sc2c(-c4cccc5c4oc4cccc(-c6nc(-c7ccc8c(c7)oc7ccccc78)nc(-c7ccc8c9ccccc9c9ccccc9c8c7)n6)c45)cccc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.36
▸ PRKDC P78527 5/20 0.34
▸ LIMK1 P53667 1/20 0.33
▸ MAPT P10636 3/20 0.32
▸ POLB P06746 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ PIK3CD O00329 2/20 0.31
▸ PIK3CB P42338 2/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ GGPS1 O95749 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TERT O14746 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
SCHEMBL25586445 0.91 LIMK1 (0.32) ALOX5PRKDCLIMK1PIK3CDPIK3CB
SCHEMBL25586257 0.90 ALOX5 (0.41) ALOX5PRKDCKDM4EALDH1A1PIK3CD
SCHEMBL24216014 0.88 PRKDC (0.40) ALOX5PRKDCMAPTPOLBALDH1A1
SCHEMBL21659070 0.88 ALOX5 (0.42) ALOX5PRKDCLIMK1MAPTPOLB
SCHEMBL23349565 0.88 ALOX5 (0.43) ALOX5PRKDCMAPTPOLBKDM4E
SCHEMBL25458968 0.88 LIMK1 (0.38) ALOX5PRKDCLIMK1MAPTPOLB
SCHEMBL24264044 0.87 ALOX5 (0.43) ALOX5PRKDCLIMK1MAPTPOLB
SCHEMBL21658813 0.87 ALOX5 (0.43) ALOX5PRKDCLIMK1MAPTPOLB
SCHEMBL24217222 0.87 ALOX5 (0.43) ALOX5PRKDCMAPTPOLBKDM4E
SCHEMBL24216842 0.87 ALOX5 (0.46) ALOX5PRKDCMAPTPOLBKDM4E

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-2023099430-A1 TRIPHENYLENE-TRIAZINE-DIBENZOFURAN/DIBENZOTHIOPHENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-06-08 — — WO disclosed
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