SCHEMBL31160361

SCHEMBL31160361

O=[N+]([O-])c1ccccc1CSc1nnc(Cn2c3ccccc3c3ccccc32)n1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 1/20 0.52
▸ RAB9A P51151 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ SIRT2 Q8IXJ6 2/20 0.46
▸ CNR2 P34972 3/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ PTK2 Q05397 1/20 0.42
▸ KEAP1 Q14145 1/20 0.41
▸ MAPT P10636 1/20 0.41

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
SCHEMBL31160341 0.84 SIRT2 (0.66) METAP2SIRT2ALDH1A1SMN1; SMN2MAPT
SCHEMBL31160353 0.82 METAP2 (0.48) METAP2CYP1A2CYP2C19SIRT2ALDH1A1
SCHEMBL31160453 0.82 ALDH1A1 (0.52) METAP2RAB9ANPC1CYP1A2CYP2C19
SCHEMBL31160440 0.82 TSHR (0.51) METAP2RAB9ANPC1CYP1A2CYP2C19
SCHEMBL31160439 0.82 SMN1; SMN2 (0.60) METAP2RAB9ANPC1SIRT2CNR2
SCHEMBL31160364 0.81 ALDH1A1 (0.54) SIRT2ALDH1A1SMN1; SMN2PTK2MAPT
SCHEMBL31160388 0.80 SIRT2 (0.58) CYP1A2CYP2C19SIRT2ALDH1A1SMN1; SMN2
SCHEMBL31160363 0.79 ALDH1A1 (0.62) CNR2ALDH1A1SMN1; SMN2
SCHEMBL31160443 0.79 SMN1; SMN2 (0.43) CYP1A2CYP2C19SIRT2ALDH1A1SMN1; SMN2
SCHEMBL31160419 0.75 PTGES (0.57) METAP2CYP1A2CYP2C19SIRT2ALDH1A1

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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