SCHEMBL20180198

SCHEMBL20180198

c1ccc(-c2cn(-c3cccc(-c4nc(-c5cccc6c5oc5ccccc56)nc(-c5cccc6c5oc5ccccc56)n4)c3)c3ccccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
POLB P06746 2/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
ALOX5 P09917 2/20 0.39
PTGER1 P34995 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
DYRK1A Q13627 1/20 0.37
PRKDC P78527 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
WNK1 Q9H4A3 1/20 0.35
GGPS1 O95749 1/20 0.35
MAPT P10636 1/20 0.34
TSHR P16473 1/20 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
SCHEMBL20615290 0.95 KDM4E (0.46) KDM4EPOLBCTDSP1ALOX5PTGER1
SCHEMBL22214645 0.89 KDM4E (0.56) KDM4EPOLBCTDSP1ALOX5PTGER1
SCHEMBL22214766 0.88 DYRK1A (0.41) KDM4EPOLBCTDSP1ALOX5PTGER1
SCHEMBL22214806 0.87 ALOX5 (0.41) KDM4EPOLBCTDSP1ALOX5DYRK1A
SCHEMBL22214731 0.86 ALOX5 (0.40) KDM4EPOLBCTDSP1ALOX5DYRK1A
SCHEMBL18905026 0.84 ALOX5 (0.41) KDM4EPOLBALOX5NPSR1PRKDC
SCHEMBL16185745 0.84 ALOX5 (0.42) KDM4EPOLBALOX5NPSR1RXFP1
SCHEMBL24154130 0.83 ALOX5 (0.39) KDM4EPOLBALOX5NPSR1PRKDC
SCHEMBL16811386 0.83 ALOX5 (0.39) KDM4EPOLBALOX5NPSR1PRKDC
SCHEMBL30021292 0.83 ALOX5 (0.39) KDM4EPOLBALOX5NPSR1PRKDC

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-2018093107-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 2018-05-24 WO disclosed