SCHEMBL20633477

SCHEMBL20633477

c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccc6c(c5)oc5cccc(-c7ccc(-n8c9ccccc9c9cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10cccc(-c%11cccc%12oc%13ccccc%13c%11%12)c%10)ccc98)cc7)c56)c4)ccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HCRTR1 O43613 1/20 0.33
PLA2G2A P14555 2/20 0.33
PLA2G4A P47712 2/20 0.33
PLA2G10 O15496 1/20 0.33
PRKDC P78527 1/20 0.32
ALOX5 P09917 1/20 0.32
BACE1 P56817 1/20 0.32
PTGER4 P35408 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
BRCA1 P38398 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MMP12 P39900 1/20 0.31
MMP13 P45452 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
SCHEMBL25789741 0.95 KDM4E (0.41) ATMKDM4EL3MBTL1PLA2G2APLA2G4A
SCHEMBL22671690 0.95 KDM4E (0.41) ATMKDM4EL3MBTL1PLA2G2APLA2G4A
SCHEMBL25852136 0.95 L3MBTL1 (0.41) ATMKDM4EL3MBTL1PLA2G2APLA2G4A
SCHEMBL16545689 0.94 L3MBTL1 (0.43) ATMKDM4EL3MBTL1PLA2G2APLA2G4A
SCHEMBL18705978 0.94 L3MBTL1 (0.40) ATMKDM4EL3MBTL1PLA2G2APLA2G4A
SCHEMBL22671784 0.94 L3MBTL1 (0.40) ATMKDM4EL3MBTL1PLA2G2APLA2G4A
SCHEMBL25852126 0.94 KDM4E (0.37) ATMKDM4EL3MBTL1HCRTR1PLA2G2A
SCHEMBL18779512 0.93 L3MBTL1 (0.42) ATMKDM4EL3MBTL1PLA2G2APLA2G4A
SCHEMBL18779550 0.93 L3MBTL1 (0.42) ATMKDM4EL3MBTL1PLA2G2APLA2G4A
SCHEMBL17885380 0.92 KDM4E (0.41) ATMKDM4EL3MBTL1PLA2G2APLA2G4A

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-2019233904-A1 ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2019-12-12 WO disclosed
WO-2019007867-A1 COMPOSITION FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-01-10 WO disclosed