SCHEMBL19985904

SCHEMBL19985904

c1ccc(-c2cccc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7c7ccccc7c6c6c7ccccc7sc6c54)cc3)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LIMK1 P53667 2/20 0.33
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
ALOX5 P09917 1/20 0.32
TP53 P04637 3/20 0.32
RXFP1 Q9HBX9 2/20 0.32
MAPT P10636 2/20 0.32
HSD17B10 Q99714 1/20 0.31
HDAC4 P56524 1/20 0.31
KMT2A Q03164 1/20 0.30
IL1R1 P14778 1/20 0.30
PTPN1 P18031 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
SCHEMBL19985970 0.95 L3MBTL1 (0.37) KDM4EATML3MBTL1LIMK1TNKS
SCHEMBL19985919 0.95 L3MBTL1 (0.37) KDM4EATML3MBTL1LIMK1TNKS
SCHEMBL19985938 0.93 MAPT (0.36) KDM4EATML3MBTL1LIMK1TNKS
SCHEMBL19985920 0.93 MAPT (0.36) KDM4EATML3MBTL1LIMK1TNKS
SCHEMBL19985937 0.92 MAPT (0.37) KDM4EATML3MBTL1LIMK1TNKS
SCHEMBL19985908 0.92 TP53 (0.32) KDM4EATML3MBTL1LIMK1ALOX5
SCHEMBL17246617 0.90 L3MBTL1 (0.35) KDM4EATML3MBTL1LIMK1TNKS
SCHEMBL19985903 0.90 TNKS (0.33) KDM4EATML3MBTL1TNKSTNKS2
SCHEMBL19985916 0.90 KDM4E (0.40) KDM4EATML3MBTL1LIMK1TP53
SCHEMBL19985942 0.90 KDM4E (0.40) KDM4EATML3MBTL1TP53RXFP1

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