SCHEMBL4045182

SCHEMBL4045182

COc1ccc2oc(OC(=O)NC3(C(=O)N4CCC5C4C(=O)CN5S(=O)(=O)c4cccnc4)CCCCC3)cc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ1 P51787 1/20 0.37
LMNA P02545 2/20 0.37
KMT2A Q03164 4/20 0.37
POLB P06746 2/20 0.37
MEN1 O00255 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
PIK3CG P48736 3/20 0.34
SMYD3 Q9H7B4 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL4046100 0.91 KLK7 (0.35) LMNAKMT2APOLBMEN1SMN1; SMN2
SCHEMBL4043466 0.90 CHRNB2 (0.40) KMT2APOLBCHRNB2CHRNA7CHRNA4
SCHEMBL4044715 0.89 MMP1 (0.34) KCNQ1LMNAKMT2APOLBMEN1
SCHEMBL4050955 0.88 CTSK (0.37) HPGD
SCHEMBL4049555 0.85 CHRNB2 (0.41) KMT2APOLBCHRNB2CHRNA7CHRNA4
SCHEMBL4050428 0.85 HPGD (0.33) LMNAKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL4040665 0.84 HPGD (0.38) LMNAKMT2APOLBMEN1ALDH1A1
SCHEMBL4047338 0.84 TACR2 (0.33) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL4047148 0.82 CHRNB2 (0.39) KCNQ1LMNAKMT2APOLBMEN1
SCHEMBL4043869 0.82 KCNQ1 (0.37) KCNQ1LMNAKMT2APOLBMEN1

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