SCHEMBL31160373

SCHEMBL31160373

O=[N+]([O-])c1ccc(CSc2nnc(Cc3cccc4c3[nH]c3ccccc34)n2-c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 2/20 0.60
▸ SMN1; SMN2 Q16637 4/20 0.59
▸ ALDH1A1 P00352 5/20 0.59
▸ MAPT P10636 5/20 0.57
▸ GAA P10253 3/20 0.52
▸ HPGD P15428 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ METAP2 P50579 1/20 0.46
▸ CNR2 P34972 1/20 0.46
▸ NPSR1 Q6W5P4 3/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45

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
SCHEMBL31160428 0.91 ALDH1A1 (0.53) SIRT2SMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL31160436 0.89 SIRT2 (0.54) SIRT2SMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL31160432 0.88 SMN1; SMN2 (0.49) SIRT2SMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL31160444 0.86 SMN1; SMN2 (0.53) SIRT2SMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL31160398 0.86 HTT (0.54) SIRT2SMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL31160404 0.86 SIRT2 (0.53) SIRT2SMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL31160346 0.86 SMN1; SMN2 (0.52) SIRT2SMN1; SMN2MAPTGAAHPGD
SCHEMBL31160424 0.84 SIRT2 (0.46) SIRT2SMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL31160430 0.84 NPSR1 (0.47) SIRT2SMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL31160411 0.81 SMN1; SMN2 (0.54) SIRT2SMN1; SMN2ALDH1A1GAAHPGD

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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