SCHEMBL31160428

SCHEMBL31160428

O=[N+]([O-])c1cccc(CSc2nnc(Cc3cccc4c3[nH]c3ccccc34)n2-c2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.53
▸ MAPT P10636 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ SIRT2 Q8IXJ6 3/20 0.49
▸ BCL2 P10415 1/20 0.49
▸ POLB P06746 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ GAA P10253 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.44
▸ HPGD P15428 1/20 0.44

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
SCHEMBL31160373 0.91 SIRT2 (0.60) ALDH1A1MAPTSMN1; SMN2SIRT2GAA
SCHEMBL31160436 0.87 SIRT2 (0.54) ALDH1A1MAPTSMN1; SMN2SIRT2RXFP1
SCHEMBL31160432 0.86 SMN1; SMN2 (0.49) ALDH1A1MAPTSMN1; SMN2SIRT2L3MBTL1
SCHEMBL31160391 0.85 SIRT2 (0.60) ALDH1A1MAPTSMN1; SMN2SIRT2GAA
SCHEMBL31160422 0.85 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2SIRT2GAAHTT
SCHEMBL31160407 0.85 LMNA (0.59) ALDH1A1MAPTSMN1; SMN2SIRT2RXFP1
SCHEMBL31160457 0.85 GAA (0.56) ALDH1A1MAPTSMN1; SMN2SIRT2POLB
SCHEMBL31160456 0.83 SMN1; SMN2 (0.51) MAPTSMN1; SMN2SIRT2GAAHTT
SCHEMBL31160444 0.81 SMN1; SMN2 (0.53) ALDH1A1MAPTSMN1; SMN2SIRT2GAA
SCHEMBL31160404 0.81 SIRT2 (0.53) ALDH1A1MAPTSMN1; SMN2SIRT2L3MBTL1

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-119019374-A Carbazole compound for preventing and treating plant pathogenic bacteria, and synthetic method and application thereof 贵州大学 2024-11-26 — — CN disclosed
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