SCHEMBL26855589

SCHEMBL26855589

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.41
▸ BRD4 O60885 2/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ TP53 P04637 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ APAF1 O14727 1/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ MAPT P10636 1/20 0.36

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
SCHEMBL26855333 0.92 POLB (0.41) POLBBRD4KMT2AMEN1EGFR
SCHEMBL30639088 0.90 APAF1 (0.48) POLBBRD4KMT2AMEN1EGFR
SCHEMBL26855829 0.90 APAF1 (0.48) POLBBRD4KMT2AMEN1EGFR
SCHEMBL26855341 0.86 MEN1 (0.43) POLBKMT2AMEN1EGFRAPAF1
SCHEMBL30639128 0.80 IDO1 (0.50) KMT2AMEN1APAF1
SCHEMBL26855588 0.80 POLB (0.44) POLBKMT2AMEN1EGFRAPAF1
SCHEMBL30639054 0.78 APAF1 (0.39) BRD4KMT2AMEN1APAF1
SCHEMBL26614232 0.78 APAF1 (0.57) POLBKMT2AMEN1EGFRAPAF1
SCHEMBL30639106 0.75 APAF1 (0.48) EGFRAPAF1
SCHEMBL26860163 0.75 APAF1 (0.48) EGFRAPAF1

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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