SCHEMBL31160341

SCHEMBL31160341

O=[N+]([O-])c1ccc(CSc2nnc(Cn3c4ccccc4c4ccccc43)n2-c2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 2/20 0.66
▸ SMN1; SMN2 Q16637 4/20 0.62
▸ ALDH1A1 P00352 6/20 0.59
▸ MAPT P10636 6/20 0.59
▸ GAA P10253 2/20 0.52
▸ HPGD P15428 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ METAP2 P50579 1/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.51
▸ TP53 P04637 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ LMNA P02545 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ P2RX4 Q99571 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48

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
SCHEMBL31160364 0.89 ALDH1A1 (0.54) SIRT2SMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL31160388 0.87 SIRT2 (0.58) SIRT2SMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL31160406 0.84 TERT (0.56) SIRT2SMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL31160419 0.84 PTGES (0.57) SIRT2SMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL31160390 0.84 SMN1; SMN2 (0.61) SIRT2SMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL31160454 0.84 L3MBTL1 (0.51) SIRT2SMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL31160361 0.84 METAP2 (0.52) SIRT2SMN1; SMN2ALDH1A1MAPTMETAP2
SCHEMBL31160385 0.81 NPSR1 (0.66) SIRT2SMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL31160414 0.81 SIRT2 (0.47) SIRT2SMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL31160371 0.81 LMNA (0.53) SIRT2SMN1; SMN2ALDH1A1MAPTGAA

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
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 claimed
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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