SCHEMBL30639068

SCHEMBL30639068

CN(C)C(=O)c1ccc2c(c1)C(=O)c1nc3cc(Cl)cc(Cl)c3c(=O)n1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APAF1 O14727 2/20 0.47
▸ TDO2 P48775 12/20 0.43
▸ IDO2 Q6ZQW0 10/20 0.43
▸ IDO1 P14902 14/20 0.43
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MITF O75030 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ CHEK1 O14757 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ LIMK1 P53667 1/20 0.39
▸ TYRO3 Q06418 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ EGFR P00533 1/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ NTRK1 P04629 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
SCHEMBL26614176 1.00 APAF1 (0.47) APAF1TDO2IDO2IDO1NPC1
SCHEMBL30639058 0.88 APAF1 (0.53) APAF1TDO2IDO2IDO1NPC1
SCHEMBL26614131 0.88 APAF1 (0.53) APAF1TDO2IDO2IDO1NPC1
SCHEMBL31382855 0.87 APAF1 (0.49) APAF1TDO2IDO2IDO1NPC1
SCHEMBL26614226 0.87 APAF1 (0.49) APAF1TDO2IDO2IDO1NPC1
SCHEMBL30639099 0.86 APAF1 (0.47) APAF1TDO2IDO2IDO1NPC1
SCHEMBL26614105 0.86 APAF1 (0.47) APAF1TDO2IDO2IDO1NPC1
SCHEMBL26860827 0.83 TDO2 (0.62) APAF1TDO2IDO2IDO1NPC1
SCHEMBL26614127 0.81 APAF1 (0.46) APAF1TDO2IDO2IDO1NPC1
SCHEMBL26614297 0.81 APAF1 (0.46) APAF1TDO2IDO2IDO1NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4514804-A1 TRYPTANTHRIN DERIVATIVES AND USES THEREOF Viscient Bio, Inc. (US) 2025-03-05 — — EP disclosed
WO-2023211977-A1 TRYPTANTHRIN DERIVATIVES AND USES THEREOF VISCIENT BIO, INC. (US) 2023-11-02 — — WO disclosed
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