SCHEMBL9968070

SCHEMBL9968070

CC(C)c1nccc2c1c1ccccc1n2C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 2/20 0.50
GPR3 P46089 1/20 0.47
GABRP O00591 3/20 0.45
GABRD O14764 3/20 0.45
GABRA1 P14867 3/20 0.45
GABRB1 P18505 3/20 0.45
GABRG2 P18507 3/20 0.45
GABRB3 P28472 3/20 0.45
GABRA5 P31644 3/20 0.45
GABRA3 P34903 3/20 0.45
GABRA2 P47869 3/20 0.45
GABRB2 P47870 3/20 0.45
GABRA4 P48169 3/20 0.45
GABRE P78334 3/20 0.45
GABRA6 Q16445 3/20 0.45
GABRG1 Q8N1C3 3/20 0.45
GABRG3 Q99928 3/20 0.45
GABRQ Q9UN88 3/20 0.45
TOP2A P11388 2/20 0.41
NQO2 P16083 1/20 0.41

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
SCHEMBL9968100 0.86 UTS2R (0.36) UTS2RGPR3
SCHEMBL9968109 0.83 TOP2A (0.40) UTS2RGABRPGABRDGABRA1GABRB1
SCHEMBL13100682 0.78 UTS2R (0.54) UTS2RGPR3GABRPGABRDGABRA1
SCHEMBL10548506 0.77 UTS2R (0.52) UTS2RGPR3GABRPGABRDGABRA1
SCHEMBL27276356 0.73 GPR3 (0.54) UTS2RGPR3GABRPGABRDGABRA1
SCHEMBL14313953 0.72 GPR3 (0.71) UTS2RGPR3GABRPGABRDGABRA1
SCHEMBL9972910 0.71 PIK3CD (0.41) MAPTKDM4EALDH1A1KMT2AHSD17B10
SCHEMBL12946492 0.69 MAPT (0.39) NQO2MAPTKDM4EHTTMEN1
SCHEMBL20340620 0.69 HASPIN (0.41) UTS2RGPR3MAPTHTTMEN1
SCHEMBL13183590 0.69 ADORA3 (0.52) UTS2RGPR3GABRPGABRDGABRA1

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