SCHEMBL26855991

SCHEMBL26855991

N#Cc1ccc2c(c1)/C(=N\O)c1nc3cc(Cl)ccc3c(=O)n1-2

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.54
▸ APAF1 O14727 1/20 0.47
▸ IDO1 P14902 4/20 0.44
▸ EGFR P00533 4/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ TDO2 P48775 1/20 0.42
▸ IDO2 Q6ZQW0 1/20 0.42
▸ TDP2 O95551 2/20 0.39
▸ TRPV1 Q8NER1 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
SCHEMBL26855338 0.88 IDO1 (0.47) KMT2AAPAF1IDO1MEN1TDO2
SCHEMBL26855331 0.87 KMT2A (0.49) KMT2AAPAF1IDO1EGFRMEN1
SCHEMBL26614209 0.86 APAF1 (0.63) KMT2AAPAF1IDO1EGFRMEN1
SCHEMBL26855335 0.80 APAF1 (0.48) KMT2AAPAF1IDO1EGFRMEN1
SCHEMBL26855341 0.75 MEN1 (0.43) KMT2AAPAF1IDO1EGFRMEN1
SCHEMBL26614193 0.73 IDO1 (0.63) KMT2AAPAF1IDO1MEN1TDO2
SCHEMBL31382838 0.73 IDO1 (0.63) KMT2AAPAF1IDO1MEN1TDO2
SCHEMBL20597470 0.72 IDO1 (0.73) APAF1IDO1
SCHEMBL19456418 0.72 IDO1 (0.73) APAF1IDO1
SCHEMBL31382877 0.71 TDO2 (0.69) KMT2AAPAF1IDO1MEN1TDO2

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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