SCHEMBL26614260

SCHEMBL26614260

N#Cc1ccc2c(c1)C(=O)c1nc3ccc(NC(=O)O)cc3c(=O)n1-2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 17/20 0.52
▸ IDO1 P14902 16/20 0.52
▸ IDO2 Q6ZQW0 13/20 0.52
▸ APAF1 O14727 2/20 0.47
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ MITF O75030 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.45
▸ MAPK14 Q16539 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ NTRK1 P04629 1/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ MAPK8 P45983 1/20 0.42
▸ NTRK2 Q16620 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL26857585 0.88 TDO2 (0.46) TDO2IDO1IDO2APAF1NPC1
SCHEMBL31382842 0.88 TDO2 (0.46) TDO2IDO1IDO2APAF1NPC1
SCHEMBL30639065 0.86 TDO2 (0.43) TDO2IDO1IDO2APAF1NPC1
SCHEMBL26614213 0.86 TDO2 (0.43) TDO2IDO1IDO2APAF1NPC1
SCHEMBL26614240 0.85 TDO2 (0.54) TDO2IDO1IDO2APAF1NPC1
SCHEMBL30639103 0.82 TDO2 (0.56) TDO2IDO1IDO2APAF1NPC1
SCHEMBL30639061 0.82 TDO2 (0.63) TDO2IDO1IDO2APAF1NPC1
SCHEMBL26614153 0.82 TDO2 (0.63) TDO2IDO1IDO2APAF1NPC1
SCHEMBL26614139 0.82 TDO2 (0.71) TDO2IDO1IDO2APAF1NPC1
SCHEMBL31382877 0.81 TDO2 (0.69) TDO2IDO1IDO2APAF1NPC1

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
WO-2023211977-A1 TRYPTANTHRIN DERIVATIVES AND USES THEREOF VISCIENT BIO, INC. (US) 2023-11-02 — — WO disclosed
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