SCHEMBL14999932

SCHEMBL14999932

CCN(CC)C(=O)Nc1ccc(CC(C(=O)NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N(CC)CC)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LARS1 Q9P2J5 1/20 0.47
F2 P00734 5/20 0.45
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA2 P00918 2/20 0.40
GAA P10253 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NLRP3 Q96P20 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL3090331 0.92 LARS1 (0.47) LARS1F2LMNAPOLBGAA
SCHEMBL3090735 0.91 F2 (0.48) LARS1F2NLRP3NPSR1
SCHEMBL14999923 0.91 MAPT (0.46) LARS1F2LMNARAB9ACA2
SCHEMBL13151776 0.90 LARS1 (0.48) LARS1F2LMNAPOLBGAA
SCHEMBL18387952 0.90 LARS1 (0.48) LARS1F2LMNAPOLBGAA
SCHEMBL3093901 0.90 MMP9 (0.46) LARS1F2LMNARAB9AALDH1A1
SCHEMBL3090750 0.90 LARS1 (0.45) LARS1F2LMNAPOLBCA2
SCHEMBL3102970 0.90 MMP9 (0.46) LARS1F2LMNARAB9AALDH1A1
SCHEMBL14999933 0.89 LARS1 (0.47) LARS1F2LMNAPOLBGAA
SCHEMBL3096834 0.89 LARS1 (0.44) LARS1F2LMNAPOLBCA2

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