SCHEMBL5237286

SCHEMBL5237286

CS(=O)(=O)c1ccc(C(=O)N2CC3CN(c4cccc(CCC(N)=O)c4)CC3C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CA1 P00915 11/20 0.38
CA2 P00918 11/20 0.38
CA9 Q16790 11/20 0.38
CA4 P22748 8/20 0.38
HTT P42858 1/20 0.38
CA12 O43570 3/20 0.37
CYP3A4 P08684 1/20 0.37
SLC9A1 P19634 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA7 P43166 2/20 0.36
CA14 Q9ULX7 2/20 0.36

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
SCHEMBL5232788 0.87 CHRNB2 (0.44) LMNASMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL5231026 0.85 HPGD (0.42) LMNASMN1; SMN2MEN1KMT2AHTT
SCHEMBL5237823 0.85 SLC6A7 (0.36) LMNASMN1; SMN2KMT2AHTT
SCHEMBL5233538 0.84 ALDH1A1 (0.47) LMNASMN1; SMN2NPSR1HTTALDH1A1
SCHEMBL4694593 0.84 ALDH1A1 (0.41) NPSR1ALDH1A1L3MBTL1
SCHEMBL5229090 0.83 LMNA (0.45) LMNASLC9A1
SCHEMBL5239241 0.83 HTT (0.43) LMNAHTTALDH1A1
SCHEMBL5236638 0.83 ALDH1A1 (0.44) CYP3A4SLC9A1ALDH1A1
SCHEMBL5238361 0.83 HPGD (0.43) HTTL3MBTL1
SCHEMBL4809142 0.82 HCRTR1 (0.41)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761542-A2 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP claimed
WO-2005121145-A2 OCTAHYDRO-PYRROLO[3,4-C] DERIVATIVES AND THEIR USE AS ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 WO claimed
EP-1761542-A2 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP disclosed
WO-2005121145-A2 OCTAHYDRO-PYRROLO[3,4-C] DERIVATIVES AND THEIR USE AS ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 WO disclosed