Sugi Predict

Sugi Predict / Compounds / SCHEMBL19001665

SCHEMBL19001665

SCHEMBL19001665

c1ccc(-c2ccc(N(c3cccc(-c4cccc5c4oc4ccccc45)c3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccc(-c5ccccc5)cc43)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.40
▸ GGPS1 O95749 1/20 0.34
▸ PTGES2 Q9H7Z7 1/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ PDK2 Q15119 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
SCHEMBL19011167 0.96 ALOX5 (0.43) ALOX5GGPS1PTGES2PRKDC
SCHEMBL17854247 0.96 ALOX5 (0.39) ALOX5GGPS1PTGES2PRKDC
SCHEMBL17690158 0.95 ALOX5 (0.40) ALOX5GGPS1PTGES2PRKDC
SCHEMBL19001846 0.95 ALOX5 (0.40) ALOX5GGPS1PTGES2PRKDCPDK2
SCHEMBL19001971 0.95 ALOX5 (0.40) ALOX5GGPS1PTGES2PRKDCPDK2
SCHEMBL25121454 0.95 ALOX5 (0.40) ALOX5GGPS1PTGES2PRKDCPDK2
SCHEMBL20687305 0.93 ALOX5 (0.39) ALOX5GGPS1PTGES2PRKDC
SCHEMBL23278313 0.93 ALOX5 (0.33) ALOX5
SCHEMBL23222514 0.93 PDK2 (0.33) ALOX5PRKDCPDK2
SCHEMBL18457657 0.92 ALOX5 (0.44) ALOX5GGPS1PTGES2PRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3390365-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-04-14 — — EP disclosed
WO-2017102063-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-06-22 — — WO disclosed