SCHEMBL26857588

SCHEMBL26857588

CC(C)(C)OC(=O)Nc1ccc2nc3n(c(=O)c2c1)-c1ccc(-c2nn[nH]n2)cc1C3=O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 8/20 0.43
▸ IDO1 P14902 7/20 0.43
▸ IDO2 Q6ZQW0 4/20 0.43
▸ AGTR1 P30556 1/20 0.39
▸ AGTR2 P50052 1/20 0.39
▸ ALOX5AP P20292 1/20 0.38
▸ APAF1 O14727 1/20 0.38

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
SCHEMBL30639071 1.00 TDO2 (0.43) TDO2IDO1IDO2AGTR1AGTR2
SCHEMBL26614198 0.89 TDO2 (0.47) TDO2IDO1IDO2AGTR1AGTR2
SCHEMBL30639102 0.85 TDO2 (0.42) TDO2IDO1IDO2APAF1
SCHEMBL9222336 0.82 TDO2 (0.63) TDO2IDO1IDO2APAF1
SCHEMBL31382842 0.80 TDO2 (0.46) TDO2IDO1IDO2APAF1
SCHEMBL26857585 0.80 TDO2 (0.46) TDO2IDO1IDO2APAF1
SCHEMBL9115282 0.75 IDO1 (0.55) TDO2IDO1IDO2APAF1
SCHEMBL30639070 0.72 IDO1 (0.58) TDO2IDO1IDO2APAF1
SCHEMBL14503718 0.69 MAPT (0.44) AGTR1AGTR2
SCHEMBL26614098 0.68 IDO1 (0.67) 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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