SCHEMBL26614232

SCHEMBL26614232

O=C(O)NCCNC(=O)c1ccc2c(c1)C(=O)c1nc3cc(Cl)ccc3c(=O)n1-2

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ APAF1 O14727 2/20 0.57
▸ IDO1 P14902 7/20 0.52
▸ TDO2 P48775 6/20 0.49
▸ IDO2 Q6ZQW0 6/20 0.49
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ EGFR P00533 1/20 0.46
▸ NPC1 O15118 1/20 0.44
▸ MITF O75030 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ POLB P06746 1/20 0.42

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
SCHEMBL26614146 0.91 APAF1 (0.53) APAF1IDO1TDO2IDO2MEN1
SCHEMBL26614211 0.90 APAF1 (0.50) APAF1IDO1TDO2IDO2MEN1
SCHEMBL30639057 0.90 APAF1 (0.50) APAF1IDO1TDO2IDO2MEN1
SCHEMBL26614119 0.88 IDO1 (0.57) APAF1IDO1TDO2IDO2MEN1
SCHEMBL30639088 0.88 APAF1 (0.48) APAF1IDO1TDO2IDO2MEN1
SCHEMBL26855829 0.88 APAF1 (0.48) APAF1IDO1TDO2IDO2MEN1
SCHEMBL26614127 0.85 APAF1 (0.46) APAF1IDO1TDO2IDO2MEN1
SCHEMBL30639101 0.85 APAF1 (0.67) APAF1IDO1TDO2IDO2MEN1
SCHEMBL26614168 0.85 APAF1 (0.67) APAF1IDO1TDO2IDO2MEN1
SCHEMBL30639072 0.82 APAF1 (0.62) APAF1IDO1TDO2IDO2MEN1

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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