SCHEMBL31637

SCHEMBL31637

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
ATM Q13315 1/20 0.60
MAPK8 P45983 2/20 0.39
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
MAPT P10636 2/20 0.37
CYP2D6 P10635 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTPN1 P18031 2/20 0.36
PGR P06401 3/20 0.36
KMT2A Q03164 2/20 0.36
IL1R1 P14778 1/20 0.36
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
HDAC4 P56524 1/20 0.35

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
SCHEMBL10206002 1.00 KDM4E (0.60) KDM4EL3MBTL1ATMMAPK8HSD17B10
SCHEMBL31749 1.00 KDM4E (0.60) KDM4EL3MBTL1ATMMAPK8HSD17B10
SCHEMBL6570776 0.98 L3MBTL1 (0.57) KDM4EL3MBTL1ATMMAPK8HSD17B10
SCHEMBL31864 0.95 KDM4E (0.55) KDM4EL3MBTL1ATMMAPK8HSD17B10
SCHEMBL31705 0.95 L3MBTL1 (0.55) KDM4EL3MBTL1ATMMAPK8HSD17B10
SCHEMBL31784 0.95 L3MBTL1 (0.55) KDM4EL3MBTL1ATMMAPK8HSD17B10
SCHEMBL16773638 0.95 KDM4E (0.55) KDM4EL3MBTL1ATMMAPK8HSD17B10
SCHEMBL20813238 0.95 KDM4E (0.58) KDM4EL3MBTL1ATMMAPK8HSD17B10
SCHEMBL31741 0.94 L3MBTL1 (0.53) KDM4EL3MBTL1ATMMAPK8HSD17B10
SCHEMBL31738 0.94 L3MBTL1 (0.53) 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