SCHEMBL9818686

SCHEMBL9818686

Nc1nc(NCCSSCCNc2n[nH]c(N)n2)n[nH]1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
GFER P55789 2/20 0.41
MAOA P21397 7/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMOX Q9NWM0 3/20 0.37
KDM1A O60341 3/20 0.37
RCOR1 Q9UKL0 3/20 0.37
JAK2 O60674 1/20 0.36
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL16253865 0.78 GAA (0.42) GAAGFERMAOAMEN1KMT2A
SCHEMBL10765717 0.74 MAOA (0.41) GAAGFERMAOAMEN1KMT2A
SCHEMBL16253864 0.74 MAPT (0.46) GAAGFERMAOAMEN1KMT2A
SCHEMBL10765724 0.74 KCNH3 (0.41) GAAGFERMAOAMEN1KMT2A
SCHEMBL10769032 0.74
SCHEMBL11356692 0.68 HRH2 (0.59)
SCHEMBL17742100 0.68 GAA (0.61) GAAGFERMAOASMOXKDM1A
SCHEMBL17742105 0.66 MAOA (0.60) GAAGFERMAOASMOXKDM1A
SCHEMBL17741774 0.66 MAOA (0.50) GAAGFERMAOAMEN1KMT2A
SCHEMBL17742109 0.66 MAOA (0.48) GAAGFERMAOAMEN1KMT2A

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
US-5028716-A Lipid Peroxidation Inhibitors TAISHO PHARMACEUTICAL CO., LTD. (JP) 1991-07-02 US disclosed
EP-0381439-A1 Triazole derivatives TAISHO PHARMACEUTICAL CO. LTD (JP) 1990-08-08 EP disclosed