SCHEMBL9968095

SCHEMBL9968095

CC(C)C(C)c1cc2c3cnccc3n(C)c2cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.38
MAOA P21397 5/20 0.36
MAOB P27338 5/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ROCK2 O75116 1/20 0.33
ACHE P22303 1/20 0.33
MAPT P10636 1/20 0.33
CYP2D6 P10635 1/20 0.32
AAK1 Q2M2I8 3/20 0.32
CDC7 O00311 1/20 0.30
CDK2 P24941 1/20 0.30
ATM Q13315 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30

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
SCHEMBL9968129 0.82 MAOA (0.39) TOP2AMAOAMAOBADORA3ADORA2A
SCHEMBL9968124 0.78 TOP2A (0.40) TOP2AMAOAMAOBADORA3ADORA2A
SCHEMBL9968089 0.76 MAOA (0.39) TOP2AMAOAMAOBADORA3ADORA2A
SCHEMBL280029 0.76 TOP2A (0.50) TOP2AMAOAMAOBADORA3ADORA2A
SCHEMBL9968120 0.74 TOP2A (0.40) TOP2AMAOAMAOBADORA3ADORA2A
SCHEMBL9968087 0.73 AAK1 (0.40) TOP2AADORA3ADORA2AROCK2MAPT
SCHEMBL2628358 0.72 ADORA3 (0.49) TOP2AMAOAMAOBADORA3ADORA2A
SCHEMBL9968110 0.71 MAOA (0.39) TOP2AMAOAMAOBADORA3ADORA2A
SCHEMBL13100687 0.70 ACHE (0.49) TOP2AMAOAMAOBADORA3ADORA2A
SCHEMBL8975963 0.69 MAOA (0.44) TOP2AMAOAMAOBADORA3ADORA2A

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