SCHEMBL26614207

SCHEMBL26614207

O=C(O)NCCC(=O)Nc1ccc2c(c1)C(=O)c1nc3cc(Cl)ccc3c(=O)n1-2

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ APAF1 O14727 2/20 0.57
▸ IDO1 P14902 7/20 0.52
▸ TDO2 P48775 6/20 0.47
▸ IDO2 Q6ZQW0 6/20 0.47
▸ EGFR P00533 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MITF O75030 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ SMN1; SMN2 Q16637 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
SCHEMBL26614284 0.89 APAF1 (0.59) APAF1IDO1TDO2IDO2EGFR
SCHEMBL30639106 0.88 APAF1 (0.48) APAF1IDO1TDO2IDO2EGFR
SCHEMBL26860163 0.88 APAF1 (0.48) APAF1IDO1TDO2IDO2EGFR
SCHEMBL26855813 0.85 APAF1 (0.52) APAF1IDO1TDO2IDO2EGFR
SCHEMBL26614184 0.85 APAF1 (0.48) APAF1IDO1TDO2IDO2EGFR
SCHEMBL30639077 0.85 APAF1 (0.48) APAF1IDO1TDO2IDO2EGFR
SCHEMBL30639091 0.83 APAF1 (0.61) APAF1IDO1TDO2IDO2EGFR
SCHEMBL26614118 0.83 APAF1 (0.61) APAF1IDO1TDO2IDO2EGFR
SCHEMBL26614232 0.82 APAF1 (0.57) APAF1IDO1TDO2IDO2EGFR
SCHEMBL30639101 0.77 APAF1 (0.67) APAF1IDO1TDO2IDO2EGFR

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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