SCHEMBL19986079

SCHEMBL19986079

c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3c4c5ccccc5c5ccccc5c4c4c5ccccc5oc4c32)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 5/20 0.36
RXFP1 Q9HBX9 4/20 0.36
PPARG P37231 3/20 0.36
NR2E3 Q9Y5X4 3/20 0.36
NCOR2 Q9Y618 3/20 0.36
LMNA P02545 3/20 0.36
POLB P06746 2/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
BRCA1 P38398 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
AHR P35869 2/20 0.31
CA12 O43570 1/20 0.30
CA9 Q16790 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
SCHEMBL17246273 0.92 KDM4E (0.42) KDM4EATML3MBTL1ALDH1A1RXFP1
SCHEMBL19986068 0.91 KDM4E (0.43) KDM4EATML3MBTL1ALDH1A1RXFP1
SCHEMBL19986190 0.90 KDM4E (0.43) KDM4EATML3MBTL1ALDH1A1RXFP1
SCHEMBL19986059 0.90 KDM4E (0.43) KDM4EATML3MBTL1ALDH1A1RXFP1
SCHEMBL19986016 0.89 KDM4E (0.44) KDM4EATML3MBTL1ALDH1A1RXFP1
SCHEMBL19986057 0.89 ALDH1A1 (0.34) KDM4EATML3MBTL1ALDH1A1RXFP1
SCHEMBL19986058 0.88 RXFP1 (0.34) KDM4EATML3MBTL1ALDH1A1RXFP1
SCHEMBL19986025 0.88 PLA2G2A (0.35) KDM4EATML3MBTL1ALDH1A1RXFP1
SCHEMBL19986008 0.88 PLA2G2A (0.35) KDM4EATML3MBTL1ALDH1A1RXFP1
SCHEMBL19986038 0.88 KDM4E (0.38) KDM4EATML3MBTL1ALDH1A1RXFP1

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