SCHEMBL28678693

SCHEMBL28678693

O=C(O)c1cc2c([nH]c3ccccc32)c(C(=O)c2cccc(Br)c2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 4/20 0.51
MGAM O43451 2/20 0.46
KMT2A Q03164 4/20 0.44
GABRP O00591 2/20 0.44
GABRD O14764 2/20 0.44
GABRA1 P14867 2/20 0.44
GABRB1 P18505 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA2 P47869 2/20 0.44
GABRB2 P47870 2/20 0.44
GABRA4 P48169 2/20 0.44
GABRE P78334 2/20 0.44
GABRA6 Q16445 2/20 0.44
GABRG1 Q8N1C3 2/20 0.44
GABRG3 Q99928 2/20 0.44
GABRQ Q9UN88 2/20 0.44
MEN1 O00255 3/20 0.42

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
SCHEMBL28929841 0.89 STAT3 (0.53) STAT3KMT2AGABRPGABRDGABRA1
SCHEMBL28664894 0.88 STAT3 (0.62) STAT3MGAMKMT2AGABRPGABRD
SCHEMBL29817685 0.84 KMT2A (0.56) STAT3MGAMKMT2AGABRPGABRD
SCHEMBL27168680 0.84 KMT2A (0.56) STAT3MGAMKMT2AGABRPGABRD
SCHEMBL28661160 0.81 STAT3 (0.51) STAT3MGAMKMT2AGABRPGABRD
SCHEMBL28660390 0.81 KMT2A (0.46) STAT3MGAMKMT2AGABRPGABRD
SCHEMBL28660396 0.81 STAT3 (0.51) STAT3MGAMKMT2AGABRPGABRD
SCHEMBL28678168 0.81 MAPT (0.52) STAT3MGAMKMT2AGABRPGABRD
SCHEMBL28664865 0.79 MAPT (0.57) STAT3MGAMKMT2AGABRPGABRD
SCHEMBL21724817 0.78 KMT2A (0.52) STAT3MGAMKMT2AGABRPGABRD

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
CN-113287619-B Application of Pityriacitrin alkaloid and derivative thereof in resisting plant viruses and germs 河北工业大学 2021-11-23 CN disclosed
CN-113287619-A Application of Pityriacitrin alkaloid and derivative thereof in resisting plant viruses and germs 河北工业大学 2021-08-24 CN disclosed