SCHEMBL9968093

SCHEMBL9968093

Cn1c2ccccc2c2nc(C(C)(C)C)ncc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 3/20 0.51
GABRD O14764 3/20 0.51
GABRA1 P14867 3/20 0.51
GABRB1 P18505 3/20 0.51
GABRG2 P18507 3/20 0.51
GABRB3 P28472 3/20 0.51
GABRA5 P31644 3/20 0.51
GABRA3 P34903 3/20 0.51
GABRA2 P47869 3/20 0.51
GABRB2 P47870 3/20 0.51
GABRA4 P48169 3/20 0.51
GABRE P78334 3/20 0.51
GABRA6 Q16445 3/20 0.51
GABRG1 Q8N1C3 3/20 0.51
GABRG3 Q99928 3/20 0.51
GABRQ Q9UN88 3/20 0.51
GPR3 P46089 1/20 0.46
TLR7 Q9NYK1 4/20 0.44
LIMK1 P53667 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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 0.84 L3MBTL1 (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9968174 0.81 L3MBTL1 (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9968247 0.80 PIK3CD (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9968130 0.80 ADORA2A (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9968237 0.79 KDM4E (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9968081 0.78 GPR3 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9968106 0.78 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9968067 0.76 GPR3 (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL23373433 0.75 GABRP (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15746022 0.73 ALDH1A1 (0.34) GPR3TLR7ALDH1A1LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2475020-A1 ORGANIC ELECTROLUMINESCENT ELEMENT FUJIFILM Corporation (JP) 2012-07-11 EP disclosed
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