SCHEMBL26614184

SCHEMBL26614184

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

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ APAF1 O14727 1/20 0.48
▸ IDO1 P14902 5/20 0.46
▸ TDO2 P48775 3/20 0.39
▸ IDO2 Q6ZQW0 2/20 0.39
▸ EGFR P00533 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ AGPAT2 O15120 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL30639077 1.00 APAF1 (0.48) APAF1IDO1TDO2IDO2EGFR
SCHEMBL26614207 0.85 APAF1 (0.57) APAF1IDO1TDO2IDO2EGFR
SCHEMBL26614284 0.83 APAF1 (0.59) APAF1IDO1TDO2IDO2EGFR
SCHEMBL26860163 0.82 APAF1 (0.48) APAF1IDO1TDO2IDO2EGFR
SCHEMBL30639106 0.82 APAF1 (0.48) APAF1IDO1TDO2IDO2EGFR
SCHEMBL26855813 0.81 APAF1 (0.52) APAF1IDO1TDO2IDO2EGFR
SCHEMBL30639091 0.80 APAF1 (0.61) APAF1IDO1TDO2IDO2EGFR
SCHEMBL26614118 0.80 APAF1 (0.61) APAF1IDO1TDO2IDO2EGFR
SCHEMBL30639109 0.74 APAF1 (0.58) APAF1IDO1TDO2IDO2EGFR
SCHEMBL26614173 0.74 APAF1 (0.58) 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 2 patents. 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
WO-2023211977-A1 TRYPTANTHRIN DERIVATIVES AND USES THEREOF VISCIENT BIO, INC. (US) 2023-11-02 — — WO disclosed
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