SCHEMBL28023903

SCHEMBL28023903

O=C(c1ccc(-n2cnc3cccnc32)cc1)c1ccc(-n2cnc3cccnc32)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.63
TP53 P04637 2/20 0.63
POLB P06746 2/20 0.56
PDE10A Q9Y233 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PABPC1 P11940 1/20 0.48
GABRP O00591 1/20 0.47
GABRD O14764 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
GABRA4 P48169 1/20 0.47
GABRE P78334 1/20 0.47
GABRA6 Q16445 1/20 0.47

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
SCHEMBL17077660 0.88 MAPT (0.60) MAPTTP53POLBPDE10AMEN1
SCHEMBL1408408 0.87 MAPT (0.59) MAPTTP53POLBPDE10AMEN1
SCHEMBL18355755 0.84 MAPT (0.57) MAPTTP53POLBPDE10AMEN1
SCHEMBL14686866 0.81 MAPT (0.59) MAPTTP53POLBMEN1KMT2A
SCHEMBL1858815 0.80 HTT (0.58) MAPTTP53PDE10AGABRPGABRD
SCHEMBL1408015 0.80 MAPT (0.58) MAPTTP53POLBPDE10AMEN1
SCHEMBL1408019 0.79 MAPT (0.57) MAPTTP53POLBMEN1KMT2A
SCHEMBL29241838 0.79 MAPT (0.67) MAPTTP53POLBPDE10AMEN1
SCHEMBL19350703 0.79 PDE10A (0.51) MAPTTP53POLBPDE10AGABRP
SCHEMBL27728531 0.79 PDE10A (0.51) MAPTTP53POLBPDE10AMEN1

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
CN-102971291-B Novel amide derivative and use thereof as medicine MITSUBISHI TANABE PHARMA CORP 2015-07-22 CN disclosed