Sugi Predict

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SCHEMBL30464263

SCHEMBL30464263

N#Cc1cn(Cc2ccccc2)c2ccc(NC(=O)c3ccncn3)cc12

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 17/20 0.70
▸ MEN1 O00255 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ PFKFB2 O60825 1/20 0.49
▸ PFKFB1 P16118 1/20 0.49
▸ PFKFB3 Q16875 1/20 0.49

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
SCHEMBL28570831 1.00 XDH (0.70) XDHMEN1ALDH1A1TSHRKMT2A
SCHEMBL28572802 0.89 XDH (0.73) XDH
SCHEMBL30464267 0.89 XDH (0.73) XDH
SCHEMBL28432409 0.88 XDH (0.67) XDHMEN1ALDH1A1TSHRKMT2A
SCHEMBL28566556 0.88 XDH (0.69) XDHMEN1KMT2ASMN1; SMN2
SCHEMBL30464269 0.88 XDH (0.69) XDHMEN1KMT2ASMN1; SMN2
SCHEMBL28568422 0.85 XDH (0.66) XDH
SCHEMBL28567262 0.85 XDH (0.66) XDHMEN1ALDH1A1TSHRKMT2A
SCHEMBL30464268 0.85 XDH (0.66) XDH
SCHEMBL28574102 0.84 XDH (0.69) XDHMEN1ALDH1A1TSHRKMT2A

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
CN-112920170-B N- (indol-5-yl) aromatic heterocyclic amide compound and preparation method and application thereof 中国医科大学 2023-06-20 — — CN disclosed