SCHEMBL31382852

SCHEMBL31382852

COc1ccc2nc3n(c(=O)c2c1)-c1ccc([N+](=O)[O-])cc1C3=O

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 7/20 0.69
▸ TDO2 P48775 4/20 0.69
▸ IDO2 Q6ZQW0 4/20 0.69
▸ CHEK1 O14757 1/20 0.56
▸ PIM1 P11309 1/20 0.56
▸ LIMK1 P53667 1/20 0.56
▸ TYRO3 Q06418 1/20 0.56
▸ MAPK14 Q16539 1/20 0.56
▸ CLK4 Q9HAZ1 1/20 0.56
▸ KMT2A Q03164 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ POLB P06746 2/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ MAPT P10636 3/20 0.51
▸ GAA P10253 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ LMNA P02545 1/20 0.49

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
SCHEMBL26614129 1.00 IDO1 (0.69) IDO1TDO2IDO2CHEK1PIM1
SCHEMBL26614103 0.87 IDO1 (0.75) IDO1TDO2IDO2CHEK1PIM1
SCHEMBL30639105 0.87 IDO1 (0.75) IDO1TDO2IDO2CHEK1PIM1
SCHEMBL26614271 0.84 IDO1 (0.76) IDO1TDO2IDO2CHEK1PIM1
SCHEMBL9221854 0.84 IDO1 (0.73) IDO1TDO2IDO2CHEK1PIM1
SCHEMBL31382850 0.84 IDO1 (0.76) IDO1TDO2IDO2CHEK1PIM1
SCHEMBL31382862 0.83 IDO1 (0.64) IDO1TDO2IDO2CHEK1PIM1
SCHEMBL26614197 0.83 IDO1 (0.64) IDO1TDO2IDO2CHEK1PIM1
SCHEMBL30862230 0.82 IDO1 (1.00) IDO1TDO2IDO2CHEK1PIM1
SCHEMBL4585619 0.82 IDO1 (1.00) IDO1TDO2IDO2CHEK1PIM1

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-119487031-A Tryptanthrin derivatives and uses thereof 威森特生物公司 2025-02-18 — — CN disclosed
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