SCHEMBL31160451

SCHEMBL31160451

Cc1cccc(CSc2nnc(Cn3c4ccccc4c4ccccc43)n2-c2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.62
▸ ALDH1A1 P00352 4/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ SIRT2 Q8IXJ6 3/20 0.49
▸ PTGDR2 Q9Y5Y4 1/20 0.47
▸ NPSR1 Q6W5P4 4/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ PTGES O14684 1/20 0.45

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
SCHEMBL31160388 0.89 SIRT2 (0.58) GAAALDH1A1TDP1MEN1KMT2A
SCHEMBL31160454 0.88 L3MBTL1 (0.51) GAAALDH1A1MEN1KMT2ASIRT2
SCHEMBL31160437 0.87 SIRT2 (0.64) GAAALDH1A1MEN1KMT2ACYP1A2
SCHEMBL31160442 0.87 ALDH1A1 (0.50) GAAALDH1A1MEN1KMT2ASIRT2
SCHEMBL31160351 0.87 ALDH1A1 (0.51) GAAALDH1A1MEN1KMT2ACYP1A2
SCHEMBL31160379 0.85 GAA (0.52) GAAALDH1A1MEN1KMT2ASIRT2
SCHEMBL31160395 0.85 SLC5A1 (0.49) GAAALDH1A1MEN1KMT2ACYP1A2
SCHEMBL31160364 0.83 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ASIRT2LMNA
SCHEMBL31160440 0.81 TSHR (0.51) ALDH1A1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL31160406 0.81 TERT (0.56) GAAALDH1A1MEN1KMT2ASIRT2

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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