SCHEMBL19985945

SCHEMBL19985945

c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3c4c5ccccc5c5ccccc5c4c4c5ccccc5sc4c32)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 5/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TP53 P04637 3/20 0.37
TNKS O95271 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LMNA P02545 1/20 0.30
RAB9A P51151 1/20 0.30
GPR3 P46089 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
SCHEMBL17246652 0.93 KDM4E (0.41) KDM4EATML3MBTL1MAPTRXFP1
SCHEMBL17464042 0.91 MAPT (0.41) KDM4EATML3MBTL1MAPTRXFP1
SCHEMBL19985948 0.91 ATM (0.43) KDM4EATML3MBTL1MAPTRXFP1
SCHEMBL19985940 0.90 ATM (0.43) KDM4EATML3MBTL1MAPTRXFP1
SCHEMBL19985909 0.90 ATM (0.43) KDM4EATML3MBTL1MAPTRXFP1
SCHEMBL19985927 0.89 ATM (0.44) KDM4EATML3MBTL1MAPTRXFP1
SCHEMBL19985937 0.89 MAPT (0.37) KDM4EATML3MBTL1MAPTRXFP1
SCHEMBL19985972 0.88 TP53 (0.35) KDM4EATML3MBTL1MAPTRXFP1
SCHEMBL19985938 0.88 MAPT (0.36) KDM4EATML3MBTL1MAPTRXFP1
SCHEMBL19985920 0.88 MAPT (0.36) 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