SCHEMBL31864

SCHEMBL31864

c1ccc(N(c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
ATM Q13315 1/20 0.55
MAPK8 P45983 2/20 0.36
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 4/20 0.34
MAPT P10636 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
CYP2D6 P10635 1/20 0.34
PTPN1 P18031 2/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
KMT2A Q03164 4/20 0.33
HPGD P15428 3/20 0.33
HTT P42858 3/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL16773638 1.00 KDM4E (0.55) KDM4EL3MBTL1ATMMAPK8HSD17B10
SCHEMBL12117314 0.98 KDM4E (0.56) KDM4EL3MBTL1ATMMAPK8HSD17B10
SCHEMBL18775509 0.97 KDM4E (0.58) KDM4EL3MBTL1ATMMAPK8HSD17B10
SCHEMBL13301597 0.97 KDM4E (0.58) KDM4EL3MBTL1ATMMAPK8HSD17B10
SCHEMBL16773639 0.96 L3MBTL1 (0.50) KDM4EL3MBTL1ATMMAPK8HSD17B10
SCHEMBL23352493 0.95 KDM4E (0.60) KDM4EL3MBTL1ATMMAPK8HSD17B10
SCHEMBL14032826 0.95 KDM4E (0.60) KDM4EL3MBTL1ATMMAPK8HSD17B10
SCHEMBL31749 0.95 KDM4E (0.60) KDM4EL3MBTL1ATMMAPK8HSD17B10
SCHEMBL14032645 0.95 KDM4E (0.60) KDM4EL3MBTL1ATMMAPK8HSD17B10
SCHEMBL12856899 0.95 KDM4E (0.60) KDM4EL3MBTL1ATMMAPK8HSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012026780-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2012-03-01 WO disclosed