SCHEMBL31382858

SCHEMBL31382858

Cc1ccc2c(=O)n3c(nc2c1)C(=O)c1cc([N+](=O)[O-])ccc1-3

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 12/20 0.75
▸ TDO2 P48775 6/20 0.75
▸ IDO2 Q6ZQW0 6/20 0.75
▸ CHEK1 O14757 1/20 0.60
▸ PIM1 P11309 1/20 0.60
▸ LIMK1 P53667 1/20 0.60
▸ TYRO3 Q06418 1/20 0.60
▸ MAPK14 Q16539 1/20 0.60
▸ CLK4 Q9HAZ1 1/20 0.60
▸ ALDH1A1 P00352 4/20 0.53
▸ APAF1 O14727 2/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ MITF O75030 1/20 0.48
▸ HSP90AA1 P07900 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ CASP1 P29466 1/20 0.46
▸ CASP3 P42574 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
SCHEMBL26614196 1.00 IDO1 (0.75) IDO1TDO2IDO2CHEK1PIM1
SCHEMBL26614103 0.91 IDO1 (0.75) IDO1TDO2IDO2CHEK1PIM1
SCHEMBL30639105 0.91 IDO1 (0.75) IDO1TDO2IDO2CHEK1PIM1
SCHEMBL26614177 0.87 IDO1 (0.73) IDO1TDO2IDO2CHEK1PIM1
SCHEMBL31382864 0.87 IDO1 (0.73) IDO1TDO2IDO2CHEK1PIM1
SCHEMBL26614149 0.87 IDO1 (0.73) IDO1TDO2IDO2CHEK1PIM1
SCHEMBL30639093 0.87 IDO1 (0.73) IDO1TDO2IDO2CHEK1PIM1
SCHEMBL31382878 0.87 IDO1 (0.73) IDO1TDO2IDO2CHEK1PIM1
SCHEMBL31382880 0.87 IDO1 (0.73) IDO1TDO2IDO2CHEK1PIM1
SCHEMBL26614159 0.87 IDO1 (0.73) 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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