SCHEMBL9818908

SCHEMBL9818908

Nc1nc(NCc2ccccc2CCS)n[nH]1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 9/20 0.58
SMOX Q9NWM0 3/20 0.53
GAA P10253 4/20 0.46
GFER P55789 2/20 0.46
KDM1A O60341 4/20 0.44
RCOR1 Q9UKL0 4/20 0.44
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL17741878 0.79 MAOA (0.64) MAOASMOXGAAGFERKDM1A
SCHEMBL17741890 0.79 MAOA (0.61) MAOASMOXGAAGFERKDM1A
SCHEMBL17741702 0.79 MAOA (0.60) MAOASMOXGAAGFERKDM1A
SCHEMBL17742100 0.76 GAA (0.61) MAOASMOXGAAGFERKDM1A
SCHEMBL17742136 0.71 MAOA (0.52) MAOASMOXGAAGFERKDM1A
SCHEMBL10433765 0.70 MAOA (0.62) MAOASMOXGAAGFERKDM1A
SCHEMBL17742104 0.68 KDM1A (0.53) MAOASMOXGAAGFERKDM1A
SCHEMBL17741703 0.68 MAOA (0.57) MAOASMOXKDM1ARCOR1
SCHEMBL17742133 0.68 MAOA (0.57) MAOASMOXGAAGFERKDM1A
SCHEMBL17742107 0.67 MAOA (0.50) MAOASMOXGAAGFERKDM1A

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 5 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 claimed
JP-2275866-A None JP disclosed
US-5028716-A Lipid Peroxidation Inhibitors TAISHO PHARMACEUTICAL CO., LTD. (JP) 1991-07-02 US disclosed
JP-H02275866-A TRIAZOLE DERIVATIVE TAISHO PHARMACEUT CO LTD 1990-11-09 JP disclosed
EP-0381439-A1 Triazole derivatives TAISHO PHARMACEUTICAL CO. LTD (JP) 1990-08-08 EP disclosed