SCHEMBL30862230

SCHEMBL30862230

O=C1c2cc([N+](=O)[O-])ccc2-n2c1nc1ccccc1c2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 9/20 1.00
▸ TDO2 P48775 7/20 1.00
▸ IDO2 Q6ZQW0 7/20 1.00
▸ CHEK1 O14757 1/20 0.69
▸ PIM1 P11309 1/20 0.69
▸ LIMK1 P53667 1/20 0.69
▸ TYRO3 Q06418 1/20 0.69
▸ MAPK14 Q16539 1/20 0.69
▸ CLK4 Q9HAZ1 1/20 0.69
▸ KMT2A Q03164 4/20 0.66
▸ MEN1 O00255 3/20 0.66
▸ APAF1 O14727 2/20 0.66
▸ NPC1 O15118 2/20 0.66
▸ RAB9A P51151 2/20 0.66
▸ MITF O75030 1/20 0.66
▸ HSP90AA1 P07900 1/20 0.66
▸ HTT P42858 3/20 0.64
▸ LMNA P02545 1/20 0.64
▸ NTRK1 P04629 1/20 0.64
▸ ALOX5 P09917 1/20 0.64

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
SCHEMBL30239959 1.00 IDO1 (1.00) IDO1TDO2IDO2CHEK1PIM1
SCHEMBL4585619 1.00 IDO1 (1.00) IDO1TDO2IDO2CHEK1PIM1
SCHEMBL30639105 0.86 IDO1 (0.75) IDO1TDO2IDO2CHEK1PIM1
SCHEMBL26614103 0.86 IDO1 (0.75) IDO1TDO2IDO2CHEK1PIM1
SCHEMBL31382858 0.86 IDO1 (0.75) IDO1TDO2IDO2CHEK1PIM1
SCHEMBL26614196 0.86 IDO1 (0.75) IDO1TDO2IDO2CHEK1PIM1
SCHEMBL9113254 0.85 TDO2 (0.74) IDO1TDO2IDO2CHEK1PIM1
SCHEMBL31382836 0.85 IDO1 (0.74) IDO1TDO2IDO2CHEK1PIM1
SCHEMBL26614201 0.85 IDO1 (0.74) IDO1TDO2IDO2CHEK1PIM1
SCHEMBL31382839 0.85 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117659024-A Amide substituted tryptanthrin derivative and preparation method and application thereof 安徽医科大学 2024-03-08 — — CN claimed
CN-119487031-A Tryptanthrin derivatives and uses thereof 威森特生物公司 2025-02-18 — — CN disclosed
CN-117659024-A Amide substituted tryptanthrin derivative and preparation method and application thereof 安徽医科大学 2024-03-08 — — CN disclosed
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