SCHEMBL4045681

SCHEMBL4045681

Cc1c(OC(=O)NC2(C(=O)N3CCC4C3C(=O)CN4S(=O)(=O)c3cccnc3)CCCCC2)oc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.36
USP2 O75604 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
HTT P42858 2/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 3/20 0.35
TSHR P16473 2/20 0.35
CHRNB2 P17787 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
HPGD P15428 1/20 0.32
ALDH1A1 P00352 2/20 0.32
NAMPT P43490 1/20 0.32
IGLV6-57 P01721 1/20 0.31
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31

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
SCHEMBL4049041 0.90 CHRNB2 (0.36) LMNAUSP2SMN1; SMN2NPSR1HTT
SCHEMBL4043809 0.89 L3MBTL1 (0.32) USP2SMN1; SMN2NPSR1HTTTP53
SCHEMBL4041595 0.88 CTSK (0.42) CTSLCTSSCTSK
SCHEMBL4041874 0.85 CHRNB2 (0.37) LMNAUSP2SMN1; SMN2NPSR1HTT
SCHEMBL4044049 0.85 CTSL (0.33) LMNAGAACTSLCTSSCTSK
SCHEMBL4042694 0.84 CTSL (0.34) SMN1; SMN2MAPK1GAATSHRHPGD
SCHEMBL4042598 0.84 CTSK (0.31) CTSK
SCHEMBL4039790 0.81 CTSK (0.39) LMNAUSP2SMN1; SMN2NPSR1HTT
SCHEMBL4044596 0.81 CTSL (0.38) LMNASMN1; SMN2HTTTP53KMT2A
SCHEMBL4042714 0.81 SMN1; SMN2 (0.36) LMNAUSP2SMN1; SMN2NPSR1HTT

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