SCHEMBL19985915

SCHEMBL19985915

c1ccc(-n2c3ccccc3c3c(-n4c5ccccc5c5c6c7ccccc7c7ccccc7c6c6c7ccccc7sc6c54)cccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD17B10 Q99714 1/20 0.35
MAPT P10636 2/20 0.33
RXFP1 Q9HBX9 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 3/20 0.31
MAPK1 P28482 1/20 0.30
TNKS O95271 1/20 0.30
TNKS2 Q9H2K2 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
SCHEMBL19985927 0.90 ATM (0.44) ATMKDM4EL3MBTL1HSD17B10MAPT
SCHEMBL19986180 0.89 ATM (0.41) ATMKDM4EL3MBTL1HSD17B10MAPT
SCHEMBL19985986 0.87 GPR3 (0.35) MAPTRXFP1MEN1KMT2ATP53
SCHEMBL19985948 0.85 ATM (0.43) ATMKDM4EL3MBTL1HSD17B10MAPT
SCHEMBL19985925 0.85 KDM4E (0.37) ATMKDM4EL3MBTL1HSD17B10MAPT
SCHEMBL19985945 0.85 KDM4E (0.40) ATMKDM4EL3MBTL1HSD17B10MAPT
SCHEMBL19985961 0.84 GPR3 (0.35) MAPTRXFP1TP53TNKSTNKS2
SCHEMBL19997969 0.84 L3MBTL1 (0.52) ATMKDM4EL3MBTL1HSD17B10MAPT
SCHEMBL19985971 0.84 TNKS (0.34) ATMKDM4EL3MBTL1ALDH1A1TNKS
SCHEMBL19997987 0.83 ATM (0.41) ATMKDM4EL3MBTL1HSD17B10MEN1

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