SCHEMBL5030463

SCHEMBL5030463

COc1ccc2c(c1)c(N)c(C)n2C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.57
MAPT P10636 7/20 0.56
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HTT P42858 3/20 0.56
HPGD P15428 2/20 0.56
HSD17B10 Q99714 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
BCHE P06276 2/20 0.50
ACHE P22303 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
RAB9A P51151 2/20 0.47
NPSR1 Q6W5P4 3/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
ADRB2 P07550 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL12926010 0.82 MAPT (0.59) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL31224051 0.81 ALDH1A1 (0.50) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL15704634 0.79 MAPT (0.56) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL24916119 0.79 MAPT (0.56) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL11047658 0.79 ALDH1A1 (0.81) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL24916526 0.77 MAPT (0.53) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL2701682 0.76 ADRB2 (0.56) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL7601817 0.76 MEN1 (0.64) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL17928546 0.75 BCHE (0.46) GAAMAPTALDH1A1KDM4EHTT
SCHEMBL3384928 0.74 KDM4E (0.71) GAAMAPTALDH1A1KDM4EMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2453496-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, NOVEL COMPOUND, LIGHTING DEVICE AND DISPLAY DEVICE Konica Minolta Holdings, Inc. (JP) 2012-05-16 EP disclosed