SCHEMBL9968089

SCHEMBL9968089

CC(C)Cc1cc2c3cnccc3n(C)c2cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.39
MAOB P27338 5/20 0.39
TOP2A P11388 1/20 0.37
AAK1 Q2M2I8 4/20 0.35
ACHE P22303 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
CYP2D6 P10635 1/20 0.34
ROCK2 O75116 1/20 0.33
KCNH2 Q12809 1/20 0.32
DYRK1A Q13627 1/20 0.32
MAPT P10636 1/20 0.32
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31

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
SCHEMBL9968078 0.78 AAK1 (0.30) AAK1
SCHEMBL9968085 0.77 TLR7 (0.34) PDE10A
SCHEMBL9968095 0.76 TOP2A (0.38) MAOAMAOBTOP2AAAK1ACHE
SCHEMBL9968129 0.75 MAOA (0.39) MAOAMAOBTOP2AAAK1ACHE
SCHEMBL280029 0.74 TOP2A (0.50) MAOAMAOBTOP2AACHEADORA3
SCHEMBL9968120 0.72 TOP2A (0.40) MAOAMAOBTOP2AAAK1ACHE
SCHEMBL2628358 0.71 ADORA3 (0.49) MAOAMAOBTOP2AACHEADORA3
SCHEMBL9968124 0.71 TOP2A (0.40) MAOAMAOBTOP2AAAK1ACHE
SCHEMBL9968115 0.70 TOP2A (0.38) MAOAMAOBTOP2AAAK1ACHE
SCHEMBL9968107 0.70 ADORA3 (0.41) TOP2AAAK1ADORA3ADORA2AROCK2

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