SCHEMBL21709112

SCHEMBL21709112

c1ccc(-c2ccc(-n3c4ccc(-c5ccccc5)cc4c4ccc(-c5cccc6c5oc5ccccc56)cc43)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.49
PRKDC P78527 8/20 0.42
GGPS1 O95749 1/20 0.40
PTGES2 Q9H7Z7 1/20 0.38
PLA2G2A P14555 3/20 0.36
PLA2G4A P47712 3/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
ATM Q13315 2/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PLA2G10 O15496 1/20 0.34
PIM1 P11309 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
MMP12 P39900 1/20 0.32
MMP13 P45452 1/20 0.32
PIK3CD O00329 1/20 0.32

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
SCHEMBL17735758 0.97 ALOX5 (0.48) ALOX5PRKDCGGPS1PTGES2PLA2G2A
SCHEMBL18623537 0.97 ALOX5 (0.48) ALOX5PRKDCGGPS1PTGES2PLA2G2A
SCHEMBL17660889 0.95 ALOX5 (0.49) ALOX5PRKDCGGPS1PTGES2PLA2G2A
SCHEMBL18804982 0.94 ALOX5 (0.48) ALOX5PRKDCGGPS1PTGES2PLA2G2A
SCHEMBL16804075 0.94 ALOX5 (0.45) ALOX5PRKDCGGPS1PTGES2PLA2G2A
SCHEMBL20714953 0.94 ALOX5 (0.48) ALOX5PRKDCGGPS1PTGES2PLA2G2A
SCHEMBL18779542 0.94 ALOX5 (0.50) ALOX5PRKDCGGPS1PTGES2PLA2G2A
SCHEMBL26060125 0.94 ALOX5 (0.50) ALOX5PRKDCGGPS1PTGES2PLA2G2A
SCHEMBL18779502 0.94 ALOX5 (0.50) ALOX5PRKDCGGPS1PTGES2PLA2G2A
SCHEMBL21414466 0.94 ALOX5 (0.52) ALOX5PRKDCGGPS1PTGES2PLA2G2A

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
WO-2020032424-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING, AS HOST MATERIAL, MIXTURE OF DIFFERENT KINDS OF COMPOUNDS, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2020-02-13 WO disclosed
WO-2020032447-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING, AS HOST MATERIAL, MIXTURE OF DIFFERENT KINDS OF COMPOUNDS, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2020-02-13 WO disclosed