SCHEMBL19787991

SCHEMBL19787991

c1ccc(-c2ccc3c4ccccc4n(-c4ccc5c(c4)c4ccccc4n5-c4ccc5[nH]c6ccccc6c5c4)c3c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
AHR P35869 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KIF11 P52732 5/20 0.38
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRA4 P48169 1/20 0.37
GABRE P78334 1/20 0.37
GABRA6 Q16445 1/20 0.37
GABRG1 Q8N1C3 1/20 0.37
GABRG3 Q99928 1/20 0.37

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
SCHEMBL19788024 0.97 KDM4E (0.41) KDM4EAHRATML3MBTL1KIF11
SCHEMBL22894026 0.95 KDM4E (0.41) KDM4EAHRATML3MBTL1KIF11
SCHEMBL12094560 0.95 KDM4E (0.43) KDM4EAHRATML3MBTL1KIF11
SCHEMBL15445600 0.94 KDM4E (0.45) KDM4EAHRATML3MBTL1KIF11
SCHEMBL18706151 0.93 KDM4E (0.42) KDM4EAHRATML3MBTL1KIF11
SCHEMBL19787932 0.92 CDK4 (0.40) KDM4EAHRATML3MBTL1KIF11
SCHEMBL15606654 0.92 KDM4E (0.45) KDM4EAHRATML3MBTL1KIF11
SCHEMBL11998327 0.92 KDM4E (0.45) KDM4EAHRATML3MBTL1KIF11
SCHEMBL24667952 0.92 KDM4E (0.43) KDM4EAHRATML3MBTL1KIF11
SCHEMBL12076840 0.92 KDM4E (0.43) KDM4EAHRATML3MBTL1KIF11

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
US-9876173-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-01-23 US disclosed