SCHEMBL4692445

SCHEMBL4692445

Cc1cc(C)c(S(=O)(=O)N2CC3CN(CCC(=O)Nc4ccc(C)c(Cl)c4)CC3C2)c(C)c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.47
LMNA P02545 3/20 0.47
GLA P06280 1/20 0.47
EPHX2 P34913 3/20 0.46
KMT2A Q03164 1/20 0.45
MITF O75030 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL4694302 0.85 MAPT (0.55) TP53MAPTLMNAHTT
SCHEMBL4694331 0.85 TP53 (0.47) TP53MAPTALDH1A1LMNAGLA
SCHEMBL4695294 0.85 MAPT (0.58) TP53MAPTLMNAKMT2AHTT
SCHEMBL4690401 0.83 TP53 (0.47) TP53MAPTALDH1A1LMNAGLA
SCHEMBL4693288 0.82 KMT2A (0.56) TP53MAPTALDH1A1KMT2AHTT
SCHEMBL3286924 0.82 TP53 (0.53) TP53MAPTALDH1A1LMNAGLA
SCHEMBL4695191 0.82 ALDH1A1 (0.52) TP53MAPTALDH1A1LMNAGLA
SCHEMBL3283676 0.82 TP53 (0.53) TP53MAPTALDH1A1LMNAKMT2A
SCHEMBL4692449 0.81 ALDH1A1 (0.46) MAPTALDH1A1EPHX2HTT
SCHEMBL4690733 0.81 HCRTR1 (0.46) TP53MAPTKMT2A

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