SCHEMBL5772990

SCHEMBL5772990

COc1cccc(C2(CNOC(=O)N=S(=O)=O)CCC(N3CCN(C)CC3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 10/20 0.46
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TACR1 P25103 1/20 0.37
SLC6A4 P31645 1/20 0.37
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
HCN1 O60741 1/20 0.37

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
SCHEMBL4877679 0.79 SOAT1 (0.46) SOAT1KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL4877681 0.79 SOAT1 (0.46) SOAT1KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL4872820 0.78 SOAT1 (0.47) SOAT1KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL4872809 0.78 SOAT1 (0.47) SOAT1KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL5772979 0.77 SOAT1 (0.46) SOAT1KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL5772984 0.77 SOAT1 (0.46) SOAT1KMT2AALDH1A1MEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL4878711 0.77 SOAT1 (0.45) SOAT1KMT2AALDH1A1TACR1SLC6A4
Hydrochloric Acid SCHEMBL4878702 0.77 SOAT1 (0.45) SOAT1KMT2AALDH1A1TACR1SLC6A4
SCHEMBL5475853 0.71 KMT2A (0.75) KMT2AALDH1A1SLC6A4
SCHEMBL5475847 0.71 KMT2A (0.75) KMT2AALDH1A1SLC6A4

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
EP-1736467-A1 NOVEL SULFONAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-27 EP disclosed