SCHEMBL9968103

SCHEMBL9968103

Cn1c2ccncc2c2cc(CC(C)(C)C)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.43
MAOB P27338 5/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TOP2A P11388 1/20 0.39
ACHE P22303 4/20 0.37
CYP3A4 P08684 1/20 0.35
ABCC1 P33527 1/20 0.35
CYP2D6 P10635 1/20 0.35
NPY5R Q15761 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34

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
SCHEMBL9968155 0.90 HPGD (0.40) MAOAMAOBKDM4EALDH1A1MAPT
SCHEMBL9968122 0.90 KDM4E (0.41) MAOAMAOBKDM4EALDH1A1MAPT
SCHEMBL21453318 0.81 CYP1A2 (0.41) MAOAMAOBCYP3A4
SCHEMBL9968170 0.79 MAOA (0.34) MAOAMAOBTUBB4ATUBBTUBA3C
SCHEMBL20385042 0.78 ALDH1A1 (0.46) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL9968160 0.78 GPR3 (0.53) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL9968105 0.78 MAOA (0.43) MAOAMAOBTOP2AACHECYP2D6
SCHEMBL9968115 0.78 TOP2A (0.38) MAOAMAOBMAPTTOP2AACHE
SCHEMBL280029 0.77 TOP2A (0.50) MAOAMAOBMAPTTOP2AACHE
SCHEMBL9968162 0.76 MAPT (0.44) KDM4EALDH1A1MAPTHPGDHSD17B10

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