SCHEMBL14999952

SCHEMBL14999952

CCN(CC)C(=O)C(CCC#N)C(=O)NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LARS1 Q9P2J5 1/20 0.50
CTSS P25774 1/20 0.47
NLRP3 Q96P20 1/20 0.43
RAPGEF3 O95398 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
KAT6A Q92794 3/20 0.39
F10 P00742 2/20 0.39
F2 P00734 1/20 0.39
HTR6 P50406 1/20 0.39
MMP1 P03956 1/20 0.39
MMP7 P09237 1/20 0.39
ACE P12821 1/20 0.39
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL3092105 0.88 LARS1 (0.47) LARS1CTSSNLRP3RAPGEF3L3MBTL1
SCHEMBL14999941 0.86 LARS1 (0.53) LARS1CTSSNLRP3RAPGEF3L3MBTL1
SCHEMBL3086119 0.86 LARS1 (0.54) LARS1CTSSNLRP3RAPGEF3L3MBTL1
SCHEMBL13151623 0.86 LARS1 (0.57) LARS1CTSSNLRP3RAPGEF3L3MBTL1
SCHEMBL3096612 0.84 LARS1 (0.51) LARS1CTSSNLRP3RAPGEF3L3MBTL1
SCHEMBL15000274 0.83 LARS1 (0.52) LARS1CTSSNLRP3RAPGEF3L3MBTL1
SCHEMBL14999890 0.82 LARS1 (0.47) LARS1CTSSNLRP3KAT6AF2
SCHEMBL3085973 0.82 LARS1 (0.53) LARS1NLRP3RAPGEF3L3MBTL1ALDH1A1
SCHEMBL15000276 0.82 LARS1 (0.53) LARS1NLRP3RAPGEF3L3MBTL1ALDH1A1
SCHEMBL15000268 0.81 LARS1 (0.50) LARS1ALDH1A1KDM4EKAT6AF2

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
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed