SCHEMBL31382836

SCHEMBL31382836

O=c1c2ccccc2nc2n1-c1ccc([N+](=O)[O-])cc1/C2=N/O

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 8/20 0.74
▸ TDO2 P48775 2/20 0.74
▸ IDO2 Q6ZQW0 2/20 0.74
▸ ALDH1A1 P00352 5/20 0.54
▸ HTT P42858 2/20 0.53
▸ CHEK1 O14757 1/20 0.52
▸ PIM1 P11309 1/20 0.52
▸ LIMK1 P53667 1/20 0.52
▸ TYRO3 Q06418 1/20 0.52
▸ MAPK14 Q16539 1/20 0.52
▸ CLK4 Q9HAZ1 1/20 0.52
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ POLB P06746 2/20 0.49
▸ LMNA P02545 1/20 0.48
▸ MAPT P10636 1/20 0.48

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
SCHEMBL26614201 1.00 IDO1 (0.74) IDO1TDO2IDO2ALDH1A1HTT
SCHEMBL30239959 0.85 IDO1 (1.00) IDO1TDO2IDO2ALDH1A1HTT
SCHEMBL4585619 0.85 IDO1 (1.00) IDO1TDO2IDO2ALDH1A1HTT
SCHEMBL30862230 0.85 IDO1 (1.00) IDO1TDO2IDO2ALDH1A1HTT
SCHEMBL20912131 0.74 IDO1 (0.80) IDO1TDO2IDO2CHEK1PIM1
SCHEMBL19456517 0.74 IDO1 (0.77) IDO1TDO2IDO2CHEK1PIM1
SCHEMBL9113254 0.74 TDO2 (0.74) IDO1TDO2IDO2ALDH1A1HTT
SCHEMBL16334540 0.72 POLB (0.67) IDO1TDO2IDO2ALDH1A1HTT
SCHEMBL29750298 0.72 POLB (0.67) IDO1TDO2IDO2ALDH1A1HTT
SCHEMBL24778111 0.72 IDO1 (0.76) 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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