SCHEMBL28489487

SCHEMBL28489487

N#Cc1ccc2[nH]c3c(c2c1)CCCC3NCCCc1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 2/20 0.59
▸ BRD3 Q15059 14/20 0.54
▸ GAA P10253 1/20 0.48
▸ CASP6 P55212 1/20 0.48
▸ CDC42 P60953 1/20 0.47
▸ RB1 P06400 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
SCHEMBL28497875 0.83 GAA (0.69) PRMT5BRD3GAACASP6CDC42
SCHEMBL28496378 0.83 PRMT5 (0.58) PRMT5BRD3GAACASP6CDC42
SCHEMBL28487334 0.81 PRMT5 (0.62) PRMT5BRD3GAACASP6CDC42
SCHEMBL31497455 0.80 RB1 (0.52) PRMT5BRD3GAACASP6CDC42
SCHEMBL5455548 0.79 PRMT5 (0.72) PRMT5BRD3GAACASP6CDC42
SCHEMBL5447038 0.77 BRD3 (0.63) PRMT5BRD3GAACASP6CDC42
SCHEMBL5468025 0.76 BRD3 (0.67) PRMT5BRD3GAACASP6CDC42
SCHEMBL22118719 0.75 CYP2D6 (0.55) PRMT5BRD3GAACASP6CDC42
SCHEMBL28731952 0.75 CYP2D6 (0.55) PRMT5BRD3GAACASP6CDC42
SCHEMBL13702966 0.74 PRMT5 (1.00) PRMT5BRD3GAACASP6CDC42

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-107739371-B Tetrahydrocarbazole micromolecule organic compound, application thereof in preparing antibacterial drugs and preparation method thereof 华东师范大学 2020-08-25 — — CN disclosed
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