SCHEMBL4048207

SCHEMBL4048207

CCCC(NC(=O)Oc1ccc2ccccc2n1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccnc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.36
PREP P48147 1/20 0.35
FAP Q12884 1/20 0.35
CTSK P43235 4/20 0.34
CTSS P25774 2/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
GAA P10253 2/20 0.33
ELOVL6 Q9H5J4 1/20 0.33
ATM Q13315 1/20 0.33
KCNQ1 P51787 1/20 0.33
HCRTR2 O43614 1/20 0.33
PIK3CG P48736 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CHRNB2 P17787 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
SCHEMBL4039165 0.92 CTSK (0.40) HSD17B10CTSKCTSSCTSLCTSB
SCHEMBL4046666 0.92 HSD17B10 (0.36) HSD17B10PREPFAPCTSKCTSS
SCHEMBL4045687 0.90 MC4R (0.34) PREPFAPCTSKCTSSCTSL
SCHEMBL4046652 0.90 CHRNB2 (0.35) PREPFAPCTSKCTSSCTSL
SCHEMBL4049444 0.89 PREP (0.33) PREPFAPCTSKCTSSCTSL
SCHEMBL4044730 0.89 LMNA (0.39) HSD17B10CTSKALDH1A1KDM4ELMNA
SCHEMBL4044872 0.88 CTSK (0.44) PREPFAPCTSKCTSSCTSL
SCHEMBL4051650 0.86 HSD17B10 (0.36) HSD17B10PREPFAPCTSKALDH1A1
SCHEMBL4048312 0.86 KCNQ1 (0.40) HSD17B10CTSKALDH1A1KDM4ELMNA
SCHEMBL4046989 0.85 ALDH1A1 (0.38) HSD17B10PREPFAPALDH1A1KDM4E

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