SCHEMBL9968115

SCHEMBL9968115

Cn1c2ccncc2c2cnc(CC(C)(C)C)cc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.38
MAOA P21397 5/20 0.36
MAOB P27338 5/20 0.36
ACHE P22303 1/20 0.36
CYP2D6 P10635 1/20 0.35
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
GRM4 Q14833 1/20 0.32
MAPT P10636 2/20 0.32
HASPIN Q8TF76 1/20 0.31
CYP3A4 P08684 1/20 0.31
ABCC1 P33527 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
ATM Q13315 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
SCHEMBL9968107 0.80 ADORA3 (0.41) TOP2AADORA3ADORA2AMAPTHASPIN
SCHEMBL9968155 0.80 HPGD (0.40) TOP2AMAOAMAOBACHECYP2D6
SCHEMBL9968103 0.78 MAOA (0.43) TOP2AMAOAMAOBACHECYP2D6
SCHEMBL9968112 0.78 TOP2A (0.40) TOP2AMAOAMAOBACHECYP2D6
SCHEMBL280029 0.76 TOP2A (0.50) TOP2AMAOAMAOBACHECYP2D6
SCHEMBL9968094 0.75 AAK1 (0.30) AAK1
SCHEMBL9968124 0.72 TOP2A (0.40) TOP2AMAOAMAOBACHECYP2D6
SCHEMBL9968110 0.71 MAOA (0.39) TOP2AMAOAMAOBACHECYP2D6
SCHEMBL9968105 0.71 MAOA (0.43) TOP2AMAOAMAOBACHECYP2D6
SCHEMBL18354602 0.71 TOP2A (0.42) TOP2AMAOAMAOBACHECYP2D6

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