SCHEMBL4043432

SCHEMBL4043432

COc1ccc2oc(OC(=O)NC(Cc3cccs3)C(=O)N3CCC4C3C(=O)CN4S(=O)(=O)c3cccnc3)cc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ1 P51787 2/20 0.38
POLB P06746 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.34
LMNA P02545 2/20 0.33
TRPM8 Q7Z2W7 2/20 0.33
PIK3CG P48736 2/20 0.33
USP30 Q70CQ3 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CHRNB4 P30926 1/20 0.32

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
SCHEMBL4046322 0.91 CHRNB2 (0.38) KCNQ1KMT2ACHRNB2CHRNA7CHRNA4
SCHEMBL4045350 0.91 CHRNB2 (0.34) KMT2AMEN1CHRNB2CHRNA7CHRNA4
SCHEMBL4047148 0.90 CHRNB2 (0.39) KCNQ1POLBKMT2AMEN1SMN1; SMN2
SCHEMBL4044402 0.90 GAA (0.36) KCNQ1USP2GAAALDH1A1TRPM8
SCHEMBL4043537 0.90 PIK3CG (0.37) KCNQ1POLBKMT2AMEN1SMN1; SMN2
SCHEMBL4043869 0.90 KCNQ1 (0.37) KCNQ1POLBKMT2AMEN1SMN1; SMN2
SCHEMBL4049501 0.89 CTSK (0.40) HPGDTRPM8
SCHEMBL4044847 0.87 CHRNB2 (0.39) CHRNB2CHRNA7CHRNA4GAAALDH1A1
SCHEMBL4051635 0.86 HPGD (0.37) GAAALDH1A1HPGDTRPM8USP30
SCHEMBL4038978 0.86 USP30 (0.34) HPGDTRPM8USP30

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