SCHEMBL19001971

SCHEMBL19001971

c1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.40
GGPS1 O95749 1/20 0.34
PDK2 Q15119 1/20 0.32
PRKDC P78527 2/20 0.32
PTGES2 Q9H7Z7 1/20 0.32
CDC14B O60729 1/20 0.30
CDC14A Q9UNH5 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
SCHEMBL19001846 1.00 ALOX5 (0.40) ALOX5GGPS1PDK2PRKDCPTGES2
SCHEMBL25121454 1.00 ALOX5 (0.40) ALOX5GGPS1PDK2PRKDCPTGES2
SCHEMBL23222535 0.96 ALOX5 (0.39) ALOX5GGPS1PDK2PRKDCPTGES2
SCHEMBL19001665 0.95 ALOX5 (0.40) ALOX5GGPS1PDK2PRKDCPTGES2
SCHEMBL20687305 0.95 ALOX5 (0.39) ALOX5GGPS1PRKDCPTGES2CDC14B
SCHEMBL16544696 0.95 ALOX5 (0.41) ALOX5GGPS1PRKDCPTGES2CDC14B
SCHEMBL20806313 0.95 ALOX5 (0.41) ALOX5GGPS1PRKDCPTGES2CDC14B
SCHEMBL17816786 0.95 ALOX5 (0.41) ALOX5GGPS1PRKDCPTGES2CDC14B
SCHEMBL17854253 0.94 ALOX5 (0.39) ALOX5GGPS1PRKDC
SCHEMBL17690158 0.94 ALOX5 (0.40) ALOX5GGPS1PRKDCPTGES2

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