SCHEMBL4693295

SCHEMBL4693295

Cc1ccc(NCCCN2CC3CN(S(=O)(=O)c4cccs4)CC3C2)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
GAA P10253 2/20 0.48
KMT2A Q03164 4/20 0.45
RAB9A P51151 3/20 0.45
PKM P14618 2/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.42
NPC1 O15118 1/20 0.42
MEN1 O00255 3/20 0.42

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
SCHEMBL4693288 0.83 KMT2A (0.56) ALDH1A1GAAKMT2ARAB9APKM
SCHEMBL4692449 0.82 ALDH1A1 (0.46) ALDH1A1GAAHTTMAPT
SCHEMBL13326676 0.81 ALDH1A1 (0.41) ALDH1A1GAAKMT2ARAB9AHTT
SCHEMBL3283683 0.80 MAPT (0.47) ALDH1A1GAAKMT2ARAB9AHTT
SCHEMBL3283552 0.79 CCR1 (0.42) ALDH1A1GAARAB9AHTTSMN1; SMN2
SCHEMBL4694266 0.78 MAPT (0.46) ALDH1A1GAAKMT2AHTTSMN1; SMN2
SCHEMBL4696048 0.78 FPR2 (0.48) GAAMAPT
SCHEMBL4695196 0.78 MAPT (0.43) ALDH1A1GAAKMT2APKMHTT
SCHEMBL4694306 0.78 FPR2 (0.56)
SCHEMBL14436612 0.77 ALDH1A1 (0.45) ALDH1A1GAAKMT2ARAB9AHTT

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