SCHEMBL22059162

SCHEMBL22059162

C/C=C(\C)N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2cccc3c2oc2ccccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 3/20 0.49
▸ GGPS1 O95749 1/20 0.40
▸ CDC14B O60729 2/20 0.36
▸ CDC14A Q9UNH5 2/20 0.36
▸ PRKDC P78527 3/20 0.35
▸ PTGES2 Q9H7Z7 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TNKS O95271 1/20 0.32
▸ FNTA P49354 1/20 0.32
▸ FNTB P49356 1/20 0.32
▸ PIK3CD O00329 1/20 0.32

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
SCHEMBL22151194 0.85 ALOX5 (0.46) ALOX5GGPS1CDC14BCDC14APRKDC
SCHEMBL11887568 0.82 ALOX5 (0.53) ALOX5GGPS1CDC14BCDC14APRKDC
SCHEMBL17933248 0.82 ALOX5 (0.52) ALOX5GGPS1CDC14BCDC14APRKDC
SCHEMBL10109557 0.82 ALOX5 (0.52) ALOX5GGPS1CDC14BCDC14APRKDC
SCHEMBL25132623 0.82 ALOX5 (0.55) ALOX5GGPS1CDC14BCDC14APRKDC
SCHEMBL10110015 0.82 ALOX5 (0.55) ALOX5GGPS1CDC14BCDC14APRKDC
SCHEMBL15496139 0.82 ALOX5 (0.55) ALOX5GGPS1CDC14BCDC14APRKDC
SCHEMBL15496092 0.82 ALOX5 (0.55) ALOX5GGPS1CDC14BCDC14APRKDC
SCHEMBL15496192 0.82 ALOX5 (0.55) ALOX5GGPS1CDC14BCDC14APRKDC
SCHEMBL21131445 0.82 ALOX5 (0.55) ALOX5GGPS1CDC14BCDC14APRKDC

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021122868-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2021-06-24 — — WO disclosed
WO-2020225069-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2020-11-12 — — WO disclosed
WO-2020109269-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2020-06-04 — — WO disclosed
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