SCHEMBL26855331

SCHEMBL26855331

CO/N=C1\c2cc(C#N)ccc2-n2c1nc1cc(Cl)ccc1c2=O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.49
▸ APAF1 O14727 1/20 0.44
▸ IDO1 P14902 5/20 0.44
▸ MEN1 O00255 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ EGFR P00533 4/20 0.41
▸ TDO2 P48775 1/20 0.40
▸ IDO2 Q6ZQW0 1/20 0.40
▸ TP53 P04637 2/20 0.38
▸ MDM2 Q00987 2/20 0.37
▸ MDM4 O15151 1/20 0.37
▸ TRPV1 Q8NER1 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
SCHEMBL26855991 0.87 KMT2A (0.54) KMT2AAPAF1IDO1MEN1MAPK1
SCHEMBL26614209 0.83 APAF1 (0.63) KMT2AAPAF1IDO1MEN1MAPK1
SCHEMBL26855091 0.82 APAF1 (0.46) KMT2AAPAF1IDO1MEN1EGFR
SCHEMBL26857744 0.81 IDO1 (0.51) IDO1TDO2IDO2
SCHEMBL26855094 0.79 CTNNB1 (0.42) KMT2AAPAF1IDO1MEN1TDO2
SCHEMBL26855588 0.76 POLB (0.44) KMT2AAPAF1IDO1MEN1EGFR
SCHEMBL26855338 0.75 IDO1 (0.47) KMT2AAPAF1IDO1MEN1TDO2
SCHEMBL30639055 0.75 IDO1 (0.46) IDO1TDO2IDO2
SCHEMBL30639095 0.75 TDO2 (0.60) KMT2AIDO1MEN1TDO2IDO2
SCHEMBL26614224 0.75 TDO2 (0.60) KMT2AIDO1MEN1TDO2IDO2

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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