SCHEMBL28664894

SCHEMBL28664894

O=C(O)c1cc2c([nH]c3ccccc32)c(C(=O)c2ccc(Br)cc2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 5/20 0.62
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MGAM O43451 1/20 0.46
KMT2A Q03164 3/20 0.46
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46

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 0.91 STAT3 (0.53) STAT3LMNAKDM4EALDH1A1TP53
SCHEMBL28678693 0.88 STAT3 (0.51) STAT3LMNAKDM4EALDH1A1TP53
SCHEMBL28678168 0.88 MAPT (0.52) STAT3LMNAKDM4EALDH1A1TP53
SCHEMBL28661160 0.88 STAT3 (0.51) STAT3LMNAKDM4EALDH1A1TP53
SCHEMBL28660396 0.88 STAT3 (0.51) STAT3LMNAKDM4EALDH1A1TP53
SCHEMBL28664865 0.85 MAPT (0.57) STAT3LMNAKDM4EALDH1A1TP53
SCHEMBL28660390 0.83 KMT2A (0.46) STAT3LMNAKDM4EALDH1A1TP53
SCHEMBL29817685 0.83 KMT2A (0.56) STAT3LMNAKDM4EALDH1A1TP53
SCHEMBL27168680 0.83 KMT2A (0.56) STAT3LMNAKDM4EALDH1A1TP53
SCHEMBL29817694 0.81 MEN1 (0.63) STAT3MGAMKMT2AMEN1HDAC3

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 4 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 claimed
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 claimed
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