SCHEMBL4690880

SCHEMBL4690880

Cc1ccc(NC(=O)CCN2CC3CN(S(=O)(=O)c4cnn(-c5ccccc5)c4C)CC3C2)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.50
POLB P06746 2/20 0.48
MCL1 Q07820 1/20 0.48
NR1H4 Q96RI1 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
PKM P14618 1/20 0.46
PRMT5 O14744 3/20 0.45
WDR77 Q9BQA1 3/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
MITF O75030 1/20 0.44
PAX8 Q06710 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RIOK1 Q9BRS2 1/20 0.44

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
SCHEMBL4691680 0.87 POLB (0.52) TP53POLBMCL1NR1H4NPC1
SCHEMBL4690883 0.84 NR1H4 (0.41) TP53POLBNR1H4NPC1RAB9A
SCHEMBL3283676 0.81 TP53 (0.53) TP53POLBTDP1ALDH1A1LMNA
SCHEMBL4693150 0.81 TP53 (0.53) TP53POLBMCL1NR1H4NPC1
SCHEMBL4691500 0.80 NR1H4 (0.54) TP53POLBNR1H4NPC1RAB9A
SCHEMBL4691661 0.80 MAPT (0.45) TP53POLBNPC1RAB9APKM
SCHEMBL4692445 0.78 TP53 (0.48) TP53ALDH1A1LMNAMAPTKMT2A
SCHEMBL4693912 0.78 PRMT5 (0.43) TP53NPC1RAB9APRMT5WDR77
SCHEMBL4694302 0.78 MAPT (0.55) TP53POLBNPC1RAB9ALMNA
SCHEMBL5662602 0.77 MAPT (0.51) TP53POLBTDP1ALDH1A1LMNA

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