SCHEMBL28678168

SCHEMBL28678168

Cc1ccc(C(=O)c2nc(C(=O)O)cc3c2[nH]c2ccccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
LMNA P02545 2/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 1/20 0.52
TP53 P04637 1/20 0.52
HPGD P15428 1/20 0.52
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 1/20 0.52
STAT3 P40763 4/20 0.51
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
POLB P06746 2/20 0.47
MGAM O43451 1/20 0.46
GABRP O00591 2/20 0.46
GABRD O14764 2/20 0.46
GABRA1 P14867 2/20 0.46
GABRB1 P18505 2/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA5 P31644 2/20 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) MAPTLMNAKDM4EALDH1A1TP53
SCHEMBL28664894 0.88 STAT3 (0.62) MAPTLMNAKDM4EALDH1A1TP53
SCHEMBL28661160 0.88 STAT3 (0.51) MAPTLMNAKDM4EALDH1A1TP53
SCHEMBL28660396 0.88 STAT3 (0.51) MAPTLMNAKDM4EALDH1A1TP53
SCHEMBL28664865 0.87 MAPT (0.57) MAPTLMNAKDM4EALDH1A1TP53
SCHEMBL29817685 0.83 KMT2A (0.56) MAPTLMNAKDM4EALDH1A1TP53
SCHEMBL27168680 0.83 KMT2A (0.56) MAPTLMNAKDM4EALDH1A1TP53
SCHEMBL26943206 0.82 STAT3 (0.63) MAPTLMNAKDM4EALDH1A1TP53
Harman-3-Carboxylic Acid SCHEMBL3967948 0.82 MAPT (0.73) MAPTLMNAKDM4EALDH1A1TP53
SCHEMBL28659095 0.82 STAT3 (0.50) MAPTLMNAKDM4EALDH1A1TP53

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