SCHEMBL31382877

SCHEMBL31382877

N#Cc1ccc2c(c1)C(=O)c1nc3ccccc3c(=O)n1-2

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 10/20 0.69
▸ IDO2 Q6ZQW0 9/20 0.69
▸ IDO1 P14902 15/20 0.67
▸ KMT2A Q03164 3/20 0.67
▸ APAF1 O14727 2/20 0.67
▸ NPC1 O15118 2/20 0.67
▸ RAB9A P51151 2/20 0.67
▸ MEN1 O00255 2/20 0.67
▸ MITF O75030 1/20 0.67
▸ HSP90AA1 P07900 1/20 0.67
▸ LMNA P02545 1/20 0.65
▸ NTRK1 P04629 1/20 0.65
▸ ALOX5 P09917 1/20 0.65
▸ MAPT P10636 1/20 0.65
▸ PTGS2 P35354 1/20 0.65
▸ HTT P42858 1/20 0.65
▸ MAPK8 P45983 1/20 0.65
▸ NTRK2 Q16620 1/20 0.65
▸ HDAC6 Q9UBN7 1/20 0.65
▸ ATM Q13315 1/20 0.52

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 0.84 IDO1 (0.63) TDO2IDO2IDO1KMT2AAPAF1
SCHEMBL26614209 0.84 APAF1 (0.63) TDO2IDO2IDO1KMT2AAPAF1
SCHEMBL31382838 0.84 IDO1 (0.63) TDO2IDO2IDO1KMT2AAPAF1
SCHEMBL26614153 0.84 TDO2 (0.63) TDO2IDO2IDO1KMT2AAPAF1
SCHEMBL30639061 0.84 TDO2 (0.63) TDO2IDO2IDO1KMT2AAPAF1
SCHEMBL30639103 0.84 TDO2 (0.56) TDO2IDO2IDO1KMT2AAPAF1
SCHEMBL26614240 0.82 TDO2 (0.54) TDO2IDO2IDO1KMT2AAPAF1
SCHEMBL26614256 0.82 IDO1 (0.77) TDO2IDO2IDO1KMT2AAPAF1
SCHEMBL9103006 0.82 TDO2 (1.00) TDO2IDO2IDO1KMT2AAPAF1
SCHEMBL30639117 0.82 TDO2 (0.56) TDO2IDO2IDO1KMT2AAPAF1

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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