SCHEMBL26857592

SCHEMBL26857592

N#Cc1ccc2c(c1)C(=O)c1nc3ccc(C(=O)N4CCNCC4)cc3c(=O)n1-2

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 16/20 0.52
▸ IDO1 P14902 15/20 0.52
▸ IDO2 Q6ZQW0 10/20 0.52
▸ CCNC P24863 1/20 0.44
▸ CDK8 P49336 1/20 0.44
▸ CDK19 Q9BWU1 1/20 0.44
▸ MKNK1 Q9BUB5 1/20 0.41
▸ MKNK2 Q9HBH9 1/20 0.41
▸ SCN7A Q01118 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ SCN9A Q15858 1/20 0.41
▸ APAF1 O14727 1/20 0.40

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
Hydrochloric Acid SCHEMBL26614295 0.99 TDO2 (0.52) TDO2IDO1IDO2CCNCCDK8
Hydrochloric Acid SCHEMBL30639052 0.99 TDO2 (0.52) TDO2IDO1IDO2CCNCCDK8
SCHEMBL26614169 0.85 TDO2 (0.58) TDO2IDO1IDO2CCNCCDK8
SCHEMBL26614240 0.85 TDO2 (0.54) TDO2IDO1IDO2APAF1
SCHEMBL30639059 0.79 APAF1 (0.53) TDO2IDO1IDO2APAF1
SCHEMBL26614187 0.79 APAF1 (0.53) TDO2IDO1IDO2APAF1
SCHEMBL26614260 0.77 TDO2 (0.52) TDO2IDO1IDO2APAF1
SCHEMBL30639061 0.77 TDO2 (0.63) TDO2IDO1IDO2APAF1
SCHEMBL30639103 0.77 TDO2 (0.56) TDO2IDO1IDO2APAF1
SCHEMBL26614153 0.77 TDO2 (0.63) TDO2IDO1IDO2APAF1

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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