SCHEMBL31382838

SCHEMBL31382838

N#Cc1ccc2c(c1)C(=O)c1nc3cc(F)ccc3c(=O)n1-2

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 17/20 0.63
▸ TDO2 P48775 17/20 0.63
▸ IDO2 Q6ZQW0 12/20 0.63
▸ APAF1 O14727 2/20 0.63
▸ MEN1 O00255 1/20 0.63
▸ NPC1 O15118 1/20 0.63
▸ MITF O75030 1/20 0.63
▸ HSP90AA1 P07900 1/20 0.63
▸ RAB9A P51151 1/20 0.63
▸ KMT2A Q03164 1/20 0.63

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
SCHEMBL26614193 1.00 IDO1 (0.63) IDO1TDO2IDO2APAF1MEN1
SCHEMBL26614256 0.88 IDO1 (0.77) IDO1TDO2IDO2APAF1MEN1
SCHEMBL4585634 0.88 IDO1 (0.80) IDO1TDO2IDO2APAF1MEN1
SCHEMBL26614209 0.86 APAF1 (0.63) IDO1TDO2IDO2APAF1MEN1
SCHEMBL26855338 0.86 IDO1 (0.47) IDO1TDO2IDO2APAF1MEN1
SCHEMBL31382877 0.84 TDO2 (0.69) IDO1TDO2IDO2APAF1MEN1
SCHEMBL26856391 0.83 IDO1 (0.52) IDO1TDO2IDO2APAF1MEN1
SCHEMBL4586093 0.82 APAF1 (0.71) IDO1TDO2IDO2APAF1MEN1
SCHEMBL26614136 0.82 IDO1 (0.71) IDO1TDO2IDO2APAF1MEN1
SCHEMBL26614214 0.81 IDO1 (0.73) IDO1TDO2IDO2APAF1MEN1

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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