SCHEMBL31160424

SCHEMBL31160424

CC(C)(C)c1ccc(CSc2nnc(Cc3cccc4c3[nH]c3ccccc34)n2-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ NPSR1 Q6W5P4 4/20 0.45
▸ GAA P10253 3/20 0.45
▸ HTT P42858 4/20 0.44
▸ HPGD P15428 3/20 0.44
▸ MAPT P10636 4/20 0.43
▸ PTGES O14684 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 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
SCHEMBL31160430 0.91 NPSR1 (0.47) SIRT2SMN1; SMN2NPSR1GAAHTT
SCHEMBL31160436 0.91 SIRT2 (0.54) SIRT2SMN1; SMN2NPSR1GAAHTT
SCHEMBL31160398 0.90 HTT (0.54) SIRT2SMN1; SMN2NPSR1GAAHTT
SCHEMBL31160346 0.88 SMN1; SMN2 (0.52) SIRT2SMN1; SMN2NPSR1GAAHTT
SCHEMBL31160444 0.88 SMN1; SMN2 (0.53) SIRT2SMN1; SMN2NPSR1GAAHTT
SCHEMBL31160404 0.88 SIRT2 (0.53) SIRT2SMN1; SMN2NPSR1GAAHTT
SCHEMBL31160396 0.85 SMN1; SMN2 (0.47) SIRT2SMN1; SMN2NPSR1GAAHTT
SCHEMBL31160457 0.84 GAA (0.56) SIRT2SMN1; SMN2NPSR1GAAHTT
SCHEMBL31160456 0.84 SMN1; SMN2 (0.51) SIRT2SMN1; SMN2NPSR1GAAHTT
SCHEMBL31160446 0.84 LMNA (0.58) SIRT2SMN1; SMN2NPSR1GAAHTT

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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