SCHEMBL26855829

SCHEMBL26855829

CC(C)(C)OC(=O)NCCNC(=O)c1ccc2c(c1)C(=O)c1nc3cc(Cl)ccc3c(=O)n1-2

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ APAF1 O14727 1/20 0.48
▸ IDO1 P14902 4/20 0.46
▸ TDO2 P48775 3/20 0.41
▸ IDO2 Q6ZQW0 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ BRD4 O60885 2/20 0.40
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ THRB P10828 1/20 0.39

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
SCHEMBL30639088 1.00 APAF1 (0.48) APAF1IDO1TDO2IDO2POLB
SCHEMBL26855589 0.90 POLB (0.41) APAF1POLBMEN1KMT2AEGFR
SCHEMBL30639128 0.90 IDO1 (0.50) APAF1IDO1TDO2IDO2MEN1
SCHEMBL26855333 0.89 POLB (0.41) APAF1IDO1POLBMEN1KMT2A
SCHEMBL26614232 0.88 APAF1 (0.57) APAF1IDO1TDO2IDO2POLB
SCHEMBL30639054 0.87 APAF1 (0.39) APAF1IDO1TDO2IDO2MEN1
SCHEMBL26614146 0.85 APAF1 (0.53) APAF1IDO1TDO2IDO2MEN1
SCHEMBL30639106 0.84 APAF1 (0.48) APAF1IDO1TDO2IDO2EGFR
SCHEMBL26860163 0.84 APAF1 (0.48) APAF1IDO1TDO2IDO2EGFR
SCHEMBL30639057 0.83 APAF1 (0.50) APAF1IDO1TDO2IDO2POLB

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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