SCHEMBL4048312

SCHEMBL4048312

CCCC(NC(=O)Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNQ1 P51787 1/20 0.40
ELOVL6 Q9H5J4 1/20 0.39
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CTSK P43235 3/20 0.35
GAA P10253 1/20 0.35
ELANE P08246 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NAMPT P43490 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL4051777 0.92 CTSK (0.44) KCNQ1ELOVL6HSD17B10ALDH1A1CTSK
SCHEMBL4044730 0.91 LMNA (0.39) KCNQ1ELOVL6HSD17B10LMNATSHR
SCHEMBL4043998 0.89 FKBP1A (0.37) CTSKNAMPT
SCHEMBL4043596 0.89 ELANE (0.38) TSHRALDH1A1CTSKELANE
SCHEMBL4039018 0.89 HSD17B10 (0.36) KCNQ1ELOVL6HSD17B10ALDH1A1CTSK
SCHEMBL4045505 0.89 KCNQ1 (0.38) KCNQ1ELOVL6HSD17B10LMNATSHR
SCHEMBL4044048 0.89 HSD17B10 (0.37) KCNQ1ELOVL6HSD17B10LMNATSHR
SCHEMBL4044695 0.88 CTSK (0.36) CTSK
SCHEMBL4046868 0.88 ITGB1 (0.37) KCNQ1ELOVL6ALDH1A1CTSKNAMPT
SCHEMBL4038871 0.88 CTSK (0.42) ALDH1A1CTSK

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