SCHEMBL31160414

SCHEMBL31160414

CC(C)(C)c1ccc(CSc2nnc(Cn3c4ccccc4c4ccccc43)n2-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 3/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ HTT P42858 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ MAPT P10636 2/20 0.45
▸ SLC5A1 P13866 1/20 0.45
▸ SLC5A2 P31639 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ PTGES O14684 1/20 0.45
▸ KMT2A Q03164 4/20 0.44
▸ NPSR1 Q6W5P4 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ GAA P10253 1/20 0.44
▸ CYP1A2 P05177 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43

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
SCHEMBL31160371 0.89 LMNA (0.53) SIRT2SMN1; SMN2HTTLMNAMAPT
SCHEMBL31160388 0.89 SIRT2 (0.58) SIRT2SMN1; SMN2HTTLMNAMAPT
SCHEMBL31160454 0.88 L3MBTL1 (0.51) SIRT2SMN1; SMN2HTTLMNAMAPT
SCHEMBL31160390 0.86 SMN1; SMN2 (0.61) SIRT2SMN1; SMN2HTTLMNAMAPT
SCHEMBL31160406 0.86 TERT (0.56) SIRT2SMN1; SMN2HTTLMNAMAPT
SCHEMBL31160419 0.86 PTGES (0.57) SIRT2SMN1; SMN2HTTLMNAMAPT
SCHEMBL31160385 0.83 NPSR1 (0.66) SIRT2SMN1; SMN2HTTLMNAMAPT
SCHEMBL31160412 0.82 SIRT2 (0.50) SIRT2SMN1; SMN2HTTLMNAMAPT
SCHEMBL31160341 0.81 SIRT2 (0.66) SIRT2SMN1; SMN2HTTLMNAMAPT
SCHEMBL31160451 0.81 GAA (0.62) SIRT2HTTLMNAMAPTALDH1A1

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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