SCHEMBL31160404

SCHEMBL31160404

Clc1ccc(CSc2nnc(Cc3cccc4c3[nH]c3ccccc34)n2-c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 3/20 0.53
▸ PTGES O14684 1/20 0.52
▸ HTT P42858 7/20 0.52
▸ NPSR1 Q6W5P4 6/20 0.52
▸ LMNA P02545 4/20 0.52
▸ MAPT P10636 4/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ SMN1; SMN2 Q16637 5/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ KMT2A Q03164 3/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ TERT O14746 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ GAA P10253 3/20 0.45
▸ HPGD P15428 2/20 0.44

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
SCHEMBL31160436 0.93 SIRT2 (0.54) SIRT2HTTNPSR1LMNAMAPT
SCHEMBL31160422 0.91 SMN1; SMN2 (0.48) SIRT2PTGESHTTNPSR1LMNA
SCHEMBL31160346 0.90 SMN1; SMN2 (0.52) SIRT2HTTNPSR1LMNAMAPT
SCHEMBL31160444 0.90 SMN1; SMN2 (0.53) SIRT2HTTNPSR1LMNAMAPT
SCHEMBL31160398 0.90 HTT (0.54) SIRT2PTGESHTTNPSR1LMNA
SCHEMBL31160340 0.89 SMN1; SMN2 (0.47) SIRT2PTGESHTTNPSR1LMNA
SCHEMBL31160427 0.88 HPGD (0.51) SIRT2HTTNPSR1LMNAMAPT
SCHEMBL31160430 0.88 NPSR1 (0.47) SIRT2HTTNPSR1LMNAMAPT
SCHEMBL31160424 0.88 SIRT2 (0.46) SIRT2PTGESHTTNPSR1LMNA
SCHEMBL31160450 0.87 ALDH1A1 (0.52) SIRT2HTTNPSR1LMNAMAPT

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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