SCHEMBL19985943

SCHEMBL19985943

c1ccc(-n2c3ccccc3c3cccc(-c4ccc(-n5c6ccccc6c6c7c8ccccc8c8ccccc8c7c7c8ccccc8sc7c65)cc4)c32)cc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALOX5 P09917 1/20 0.33
DUSP3 P51452 1/20 0.33
HSD17B10 Q99714 1/20 0.32
LIMK1 P53667 1/20 0.31
MAPT P10636 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
TP53 P04637 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
SCHEMBL19985933 0.91 KDM4E (0.35) KDM4EATML3MBTL1ALOX5DUSP3
SCHEMBL19985925 0.91 KDM4E (0.37) KDM4EATML3MBTL1ALOX5HSD17B10
SCHEMBL19986181 0.89 ALOX5 (0.44) ALOX5TP53
SCHEMBL19985988 0.89 ALOX5 (0.34) ALOX5LIMK1TP53
SCHEMBL19985913 0.88 CA12 (0.34) ALOX5TP53
SCHEMBL19985970 0.87 L3MBTL1 (0.37) KDM4EATML3MBTL1HSD17B10LIMK1
SCHEMBL19985919 0.87 L3MBTL1 (0.37) KDM4EATML3MBTL1HSD17B10LIMK1
SCHEMBL19985927 0.87 ATM (0.44) KDM4EATML3MBTL1HSD17B10MAPT
SCHEMBL19985965 0.87 ALOX5 (0.33) ALOX5TP53
SCHEMBL19986180 0.86 ATM (0.41) KDM4EATML3MBTL1HSD17B10MAPT

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