SCHEMBL17550825

SCHEMBL17550825

C=C(/C=C\C(=C/C)N(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1)c1ccc(-c2cccc3c2oc2ccccc23)cc1S

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.42
▸ GGPS1 O95749 1/20 0.36
▸ PRKDC P78527 1/20 0.34
▸ PRMT5 O14744 1/20 0.32
▸ WDR77 Q9BQA1 1/20 0.32
▸ PTGES2 Q9H7Z7 1/20 0.32
▸ HDAC8 Q9BY41 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
SCHEMBL25632416 0.83 ALOX5 (0.38) ALOX5GGPS1HDAC8
SCHEMBL22151194 0.79 ALOX5 (0.46) ALOX5GGPS1PRKDCPRMT5WDR77
SCHEMBL22640526 0.76 ALOX5 (0.44) ALOX5GGPS1PRKDCPTGES2HDAC8
SCHEMBL22059162 0.75 ALOX5 (0.49) ALOX5GGPS1PRKDCPRMT5WDR77
SCHEMBL23224527 0.73 ALOX5 (0.37) ALOX5GGPS1
SCHEMBL23438877 0.70 ALOX5 (0.37) ALOX5GGPS1HDAC8
SCHEMBL18644815 0.70 ALOX5 (0.34) ALOX5PRKDC
SCHEMBL10110152 0.69 ALOX5 (0.58) ALOX5GGPS1PRKDCPRMT5WDR77
SCHEMBL17539864 0.69 ALOX5 (0.58) ALOX5GGPS1PRKDCPRMT5WDR77
SCHEMBL17705899 0.69 ALOX5 (0.58) ALOX5GGPS1PRKDCPRMT5WDR77

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-2016032137-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE 덕산네오룩스 주식회사 2016-03-03 — — WO disclosed
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