SCHEMBL9968237

SCHEMBL9968237

CC(C)(C)c1ncc2c(n1)c1ccccc1n2-c1ccc([Si](c2ccc(-n3c4ccccc4c4nc(C(C)(C)C)ncc43)cc2)(c2ccc(-n3c4ccccc4c4nc(C(C)(C)C)ncc43)cc2)c2ccc(-n3c4ccccc4c4nc(C(C)(C)C)ncc43)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
GABRA6 Q16445 1/20 0.35
GABRG1 Q8N1C3 1/20 0.35
GABRG3 Q99928 1/20 0.35
GABRQ Q9UN88 1/20 0.35
PIK3CD O00329 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
SCHEMBL10316458 0.89 L3MBTL1 (0.47) KDM4EATML3MBTL1GABRPGABRD
SCHEMBL9968247 0.88 PIK3CD (0.40) KDM4EATML3MBTL1GABRPGABRD
SCHEMBL9968174 0.84 L3MBTL1 (0.38) KDM4EATML3MBTL1GABRPGABRD
SCHEMBL9968093 0.79 GABRP (0.51) KDM4EL3MBTL1GABRPGABRDGABRA1
SCHEMBL12108670 0.73 L3MBTL1 (0.64) KDM4EATML3MBTL1ALDH1A1KMT2A
SCHEMBL9968272 0.73 ALDH1A1 (0.36) KDM4EATML3MBTL1PIK3CDPIK3CA
SCHEMBL25699964 0.73 KDM4E (0.48) KDM4EATML3MBTL1GABRPGABRD
SCHEMBL15746022 0.72 ALDH1A1 (0.34) KDM4EATML3MBTL1TLR7ALDH1A1
SCHEMBL9968246 0.72 KDM4E (0.36) KDM4EATML3MBTL1PIK3CDPIK3CA
SCHEMBL12108663 0.70 L3MBTL1 (0.65) KDM4EATML3MBTL1ALDH1A1KMT2A

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-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed