SCHEMBL4693288

SCHEMBL4693288

Cc1ccc(NC(=O)CCN2CC3CN(S(=O)(=O)c4cccs4)CC3C2)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
ALDH1A1 P00352 4/20 0.56
GAA P10253 2/20 0.56
MAPT P10636 5/20 0.53
MEN1 O00255 4/20 0.52
RAB9A P51151 2/20 0.52
HTT P42858 1/20 0.49
PKM P14618 1/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL4693295 0.83 ALDH1A1 (0.48) KMT2AALDH1A1GAAMAPTMEN1
SCHEMBL4692445 0.82 TP53 (0.48) KMT2AALDH1A1MAPTHTTTP53
SCHEMBL3283676 0.80 TP53 (0.53) KMT2AALDH1A1MAPTMEN1HTT
SCHEMBL4694338 0.79 TP53 (0.45) KMT2AALDH1A1MAPTMEN1RAB9A
SCHEMBL3286924 0.79 TP53 (0.53) KMT2AALDH1A1MAPTMEN1TP53
SCHEMBL4694302 0.79 MAPT (0.55) MAPTRAB9AHTTTP53SMN1; SMN2
SCHEMBL4695191 0.79 ALDH1A1 (0.52) KMT2AALDH1A1GAAMAPTTP53
SCHEMBL4695294 0.78 MAPT (0.58) KMT2AMAPTMEN1HTTTP53
SCHEMBL3281859 0.78 CCR5 (0.52) KMT2AALDH1A1GAAMEN1HTT
SCHEMBL4695971 0.77 LMNA (0.50) KMT2AALDH1A1MAPTMEN1HTT

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-B1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2008-01-02 EP 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 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-B1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2008-01-02 EP disclosed