SCHEMBL31160432

SCHEMBL31160432

O=[N+]([O-])c1ccccc1CSc1nnc(Cc2cccc3c2[nH]c2ccccc23)n1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ METAP2 P50579 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ CNR2 P34972 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ HPGD P15428 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ RAB9A P51151 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ THRB P10828 1/20 0.43
▸ MAPT P10636 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ MAPK1 P28482 1/20 0.40

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 0.88 SIRT2 (0.60) SMN1; SMN2METAP2CNR2GAANPSR1
SCHEMBL31160428 0.86 ALDH1A1 (0.53) SMN1; SMN2GAANPSR1HPGDHTT
SCHEMBL31160436 0.85 SIRT2 (0.54) SMN1; SMN2GAANPSR1HPGDHTT
SCHEMBL31160446 0.84 LMNA (0.58) SMN1; SMN2METAP2CYP1A2CYP2C19GAA
SCHEMBL31160411 0.84 SMN1; SMN2 (0.54) SMN1; SMN2METAP2GAANPSR1HPGD
SCHEMBL31160427 0.84 HPGD (0.51) SMN1; SMN2METAP2CYP1A2CYP2C19GAA
SCHEMBL31160441 0.84 SMN1; SMN2 (0.51) SMN1; SMN2METAP2GAANPSR1HPGD
SCHEMBL31160350 0.81 SMN1; SMN2 (0.49) SMN1; SMN2GAANPSR1HPGDHTT
SCHEMBL31160450 0.81 ALDH1A1 (0.52) SMN1; SMN2CYP1A2CYP2C19GAANPSR1
SCHEMBL31160455 0.81 SMN1; SMN2 (0.48) SMN1; SMN2METAP2GAANPSR1HPGD

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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