SCHEMBL4043809

SCHEMBL4043809

Cc1c(OC(=O)NC2(C(=O)N3CCC4C3C(=O)CN4S(=O)(=O)c3ccc[n+]([O-])c3)CCCCC2)oc2ccccc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.32
ALDH1A1 P00352 6/20 0.32
USP2 O75604 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
HSD17B10 Q99714 2/20 0.31
CYP2C9 P11712 1/20 0.31
FPR1 P21462 1/20 0.31
CYP2C19 P33261 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAPT P10636 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HTT P42858 2/20 0.30

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
SCHEMBL4042598 0.90 CTSK (0.31) L3MBTL1
SCHEMBL4045681 0.89 LMNA (0.36) ALDH1A1USP2SMN1; SMN2GAAHPGD
SCHEMBL4041595 0.86 CTSK (0.42)
SCHEMBL4044049 0.83 CTSL (0.33) GAA
SCHEMBL4042694 0.82 CTSL (0.34) ALDH1A1SMN1; SMN2GAAKDM4EHSD17B10
SCHEMBL4049041 0.81 CHRNB2 (0.36) USP2SMN1; SMN2GAANPSR1HTT
SCHEMBL4043622 0.81 CTSK (0.39) L3MBTL1ALDH1A1KDM4ECA12CA1
SCHEMBL4040779 0.81 CTSV (0.34) L3MBTL1ALDH1A1USP2SMN1; SMN2GAA
SCHEMBL4045411 0.81 PREP (0.33) L3MBTL1ALDH1A1USP2SMN1; SMN2GAA
SCHEMBL4044715 0.80 MMP1 (0.34) L3MBTL1ALDH1A1GAAKDM4EHSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed