SCHEMBL9968110

SCHEMBL9968110

CCC(CC)c1cc2c(cn1)c1cnccc1n2C

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 0.38
ACHE P22303 1/20 0.36
CYP2D6 P10635 1/20 0.35
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
AAK1 Q2M2I8 2/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 1/20 0.32

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 0.90 MAOA (0.39) MAOAMAOBTOP2AACHECYP2D6
SCHEMBL9968124 0.84 TOP2A (0.40) MAOAMAOBTOP2AACHECYP2D6
SCHEMBL280029 0.76 TOP2A (0.50) MAOAMAOBTOP2AACHECYP2D6
SCHEMBL9968104 0.73
SCHEMBL9968112 0.72 TOP2A (0.40) MAOAMAOBTOP2AACHECYP2D6
SCHEMBL18354306 0.72 HPGD (0.42) MAOAMAOBTOP2AACHECYP2D6
SCHEMBL9968095 0.71 TOP2A (0.38) MAOAMAOBTOP2AACHECYP2D6
SCHEMBL9968115 0.71 TOP2A (0.38) MAOAMAOBTOP2AACHECYP2D6
SCHEMBL23306901 0.70 TOP2A (0.39) MAOAMAOBTOP2AACHECYP2D6
SCHEMBL13100686 0.69 TOP2A (0.47) MAOAMAOBTOP2AACHECYP2D6

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