SCHEMBL4695191

SCHEMBL4695191

Cc1ccc(NC(=O)CCN2CC3CN(S(=O)(=O)c4ccc(C#N)cc4)CC3C2)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
GAA P10253 2/20 0.52
MAPT P10636 4/20 0.51
BLM P54132 1/20 0.50
ALOX12 P18054 1/20 0.50
LMNA P02545 3/20 0.48
GLA P06280 1/20 0.48
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 1/20 0.47
TP53 P04637 1/20 0.46
USP2 O75604 1/20 0.45
MAPK1 P28482 1/20 0.45
OPRK1 P41145 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
SCHEMBL4693588 0.86 UBE2M (0.46) ALDH1A1SMN1; SMN2MAPTLMNAKMT2A
SCHEMBL4695196 0.83 MAPT (0.43) ALDH1A1SMN1; SMN2GAAMAPTKMT2A
SCHEMBL4692445 0.82 TP53 (0.48) ALDH1A1MAPTLMNAGLAKMT2A
SCHEMBL4691609 0.81 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2GAAMAPTLMNA
SCHEMBL4693288 0.79 KMT2A (0.56) ALDH1A1SMN1; SMN2GAAMAPTKMT2A
SCHEMBL3286924 0.78 TP53 (0.53) ALDH1A1SMN1; SMN2MAPTLMNAGLA
SCHEMBL3283676 0.78 TP53 (0.53) ALDH1A1SMN1; SMN2MAPTLMNAKMT2A
SCHEMBL4694302 0.78 MAPT (0.55) SMN1; SMN2MAPTLMNATP53USP2
SCHEMBL4690531 0.78 MAPT (0.48) ALDH1A1SMN1; SMN2GAAMAPTBLM
SCHEMBL4693905 0.78 HCRTR1 (0.48) ALDH1A1GAAMAPTLMNAKMT2A

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