SCHEMBL9968112

SCHEMBL9968112

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.40
MAOA P21397 5/20 0.36
MAOB P27338 5/20 0.36
ACHE P22303 2/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32
GRM4 Q14833 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
RAB9A P51151 1/20 0.31
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
SCHEMBL9968120 0.89 TOP2A (0.40) TOP2AMAOAMAOBACHEADORA3
SCHEMBL9968084 0.87 KDM4E (0.32)
SCHEMBL27097256 0.82 NPC1 (0.41) TOP2AMAOAMAOBACHEMAPT
SCHEMBL280029 0.79 TOP2A (0.50) TOP2AMAOAMAOBACHEADORA3
SCHEMBL9968115 0.78 TOP2A (0.38) TOP2AMAOAMAOBACHEADORA3
SCHEMBL9968105 0.78 MAOA (0.43) TOP2AMAOAMAOBACHEADORA3
SCHEMBL13100686 0.76 TOP2A (0.47) TOP2AMAOAMAOBACHEADORA3
SCHEMBL9968124 0.75 TOP2A (0.40) TOP2AMAOAMAOBACHEADORA3
SCHEMBL16942820 0.74 TOP2A (0.37) TOP2AMAOAMAOBACHECYP2D6
SCHEMBL13100687 0.73 ACHE (0.49) TOP2AMAOAMAOBACHEADORA3

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