SCHEMBL21764558

SCHEMBL21764558

c1ccc(-c2ccc(N(c3ccc(-c4ccc5c6ccccc6c6ccccc6c6ccccc6c6ccccc6c5c4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.51
GGPS1 O95749 1/20 0.41
PRKDC P78527 7/20 0.41
PLA2G2A P14555 4/20 0.39
PLA2G4A P47712 4/20 0.39
PTGES2 Q9H7Z7 1/20 0.39
PLA2G10 O15496 1/20 0.38
PIM1 P11309 2/20 0.35
CSNK2A2 P19784 2/20 0.35
CSNK2B P67870 2/20 0.35
PIM3 Q86V86 2/20 0.35
PIM2 Q9P1W9 1/20 0.35
CDC14B O60729 1/20 0.35
CDC14A Q9UNH5 1/20 0.35
MMP12 P39900 1/20 0.35
MMP13 P45452 1/20 0.35
PIK3CD O00329 2/20 0.34
PIK3CA P42336 2/20 0.34
PIK3CB P42338 2/20 0.34
PIK3CG P48736 2/20 0.34

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
SCHEMBL16883077 1.00 ALOX5 (0.51) ALOX5GGPS1PRKDCPLA2G2APLA2G4A
SCHEMBL17083568 1.00 ALOX5 (0.51) ALOX5GGPS1PRKDCPLA2G2APLA2G4A
SCHEMBL17083567 1.00 ALOX5 (0.51) ALOX5GGPS1PRKDCPLA2G2APLA2G4A
SCHEMBL16883076 1.00 ALOX5 (0.51) ALOX5GGPS1PRKDCPLA2G2APLA2G4A
SCHEMBL17083580 0.99 ALOX5 (0.50) ALOX5GGPS1PRKDCPLA2G2APLA2G4A
SCHEMBL17083590 0.97 ALOX5 (0.49) ALOX5GGPS1PRKDCPLA2G2APLA2G4A
SCHEMBL16437990 0.97 ALOX5 (0.51) ALOX5GGPS1PRKDCPLA2G2APLA2G4A
SCHEMBL15179872 0.97 ALOX5 (0.51) ALOX5GGPS1PRKDCPLA2G2APLA2G4A
SCHEMBL17083566 0.97 ALOX5 (0.51) ALOX5GGPS1PRKDCPLA2G2APLA2G4A
SCHEMBL15180006 0.97 ALOX5 (0.51) ALOX5GGPS1PRKDCPLA2G2APLA2G4A

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
EP-3227269-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-02-26 EP disclosed