SCHEMBL19985933

SCHEMBL19985933

c1ccc(-n2c3ccccc3c3cccc(-c4cccc(-n5c6ccccc6c6c7c8ccccc8c8ccccc8c7c7c8ccccc8sc7c65)c4)c32)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALOX5 P09917 1/20 0.34
MAPT P10636 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
LIMK1 P53667 1/20 0.32
TP53 P04637 1/20 0.32
DUSP3 P51452 1/20 0.32
HSD17B10 Q99714 1/20 0.31
KMT2A Q03164 1/20 0.30
IL1R1 P14778 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
SCHEMBL19985917 0.92 KDM4E (0.35) KDM4EATML3MBTL1ALOX5MAPT
SCHEMBL19985943 0.91 KDM4E (0.37) KDM4EATML3MBTL1ALOX5MAPT
SCHEMBL19985951 0.89 ALOX5 (0.35) ALOX5MAPTRXFP1LIMK1TP53
SCHEMBL19986006 0.89 ALOX5 (0.45) ALOX5MAPTRXFP1TP53
SCHEMBL19985937 0.89 MAPT (0.37) KDM4EATML3MBTL1ALOX5MAPT
SCHEMBL19985922 0.88 ALOX5 (0.34) ALOX5MAPTRXFP1TP53
SCHEMBL19985920 0.88 MAPT (0.36) KDM4EATML3MBTL1ALOX5MAPT
SCHEMBL19985938 0.88 MAPT (0.36) KDM4EATML3MBTL1MAPTRXFP1
SCHEMBL19985974 0.87 KDM4E (0.38) KDM4EATML3MBTL1MAPTRXFP1
SCHEMBL19985941 0.87 KDM4E (0.38) KDM4EATML3MBTL1MAPTRXFP1

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
US-20180083202-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-22 US disclosed
US-20180083202-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-22 US disclosed