SCHEMBL26855091

SCHEMBL26855091

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ APAF1 O14727 1/20 0.46
▸ IDO1 P14902 8/20 0.45
▸ TDO2 P48775 2/20 0.41
▸ IDO2 Q6ZQW0 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ EGFR P00533 2/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ CA4 P22748 1/20 0.38
▸ CA7 P43166 1/20 0.38

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
SCHEMBL26855335 0.87 APAF1 (0.48) APAF1IDO1TDO2IDO2CA1
SCHEMBL26855827 0.85 APAF1 (0.63) APAF1IDO1TDO2IDO2CA1
SCHEMBL26855331 0.82 KMT2A (0.49) APAF1IDO1TDO2IDO2EGFR
SCHEMBL26614235 0.81 IDO1 (0.53) IDO1TDO2IDO2CA1CA2
SCHEMBL30639092 0.81 IDO1 (0.53) IDO1TDO2IDO2CA1CA2
SCHEMBL26855588 0.77 POLB (0.44) APAF1IDO1EGFRKMT2AMEN1
SCHEMBL26856245 0.73 IDO1 (0.45) APAF1IDO1TDO2IDO2KMT2A
SCHEMBL30639108 0.72 IDO1 (0.63) APAF1IDO1TDO2IDO2KMT2A
SCHEMBL26614117 0.72 IDO1 (0.63) APAF1IDO1TDO2IDO2KMT2A
SCHEMBL26858212 0.71 TDO2 (0.70) 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 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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