SCHEMBL4042714

SCHEMBL4042714

CCCC(NC(=O)Oc1oc2ccccc2c1C)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccnc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.36
GAA P10253 4/20 0.36
NPSR1 Q6W5P4 3/20 0.36
USP2 O75604 3/20 0.36
LMNA P02545 3/20 0.36
TSHR P16473 3/20 0.36
HSD17B10 Q99714 1/20 0.35
PREP P48147 2/20 0.35
FAP Q12884 2/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
HTT P42858 2/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.33
ELOVL6 Q9H5J4 1/20 0.32
CTSS P25774 1/20 0.32
GFER P55789 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
SCHEMBL4039790 0.93 CTSK (0.39) SMN1; SMN2GAANPSR1USP2LMNA
SCHEMBL4046502 0.90 PREP (0.34) SMN1; SMN2GAANPSR1USP2LMNA
SCHEMBL4048128 0.90 CHRNB2 (0.36) SMN1; SMN2GAANPSR1USP2LMNA
SCHEMBL4050728 0.89 SMN1; SMN2 (0.33) SMN1; SMN2GAANPSR1USP2LMNA
SCHEMBL4045411 0.89 PREP (0.33) SMN1; SMN2GAAUSP2TSHRPREP
SCHEMBL4043247 0.88 CTSK (0.39) PREPFAPCTSSCTSK
SCHEMBL4041999 0.86 HSD17B10 (0.36) GAALMNAHSD17B10PREPFAP
SCHEMBL4040431 0.85 CHRNB2 (0.37) SMN1; SMN2GAANPSR1USP2LMNA
SCHEMBL4040090 0.85 PREP (0.36) PREPFAPCTSSCTSK
SCHEMBL4040800 0.85 PREP (0.36) SMN1; SMN2GAATSHRPREPFAP

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