SCHEMBL3470358

SCHEMBL3470358

O=C(O)C(Cc1cnn(Cc2ccccc2)c1)C(=O)NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LARS1 Q9P2J5 1/20 0.46
LMNA P02545 1/20 0.43
F2 P00734 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
HTR7 P34969 1/20 0.41
NR1I2 O75469 1/20 0.41
TRHDE Q9UKU6 1/20 0.41
SCD O00767 3/20 0.40
SCD5 Q86SK9 3/20 0.40
IDO1 P14902 1/20 0.40
CYP19A1 P11511 1/20 0.40
PARG Q86W56 1/20 0.39
PPARG P37231 1/20 0.39
ENPP3 O14638 2/20 0.39
ENPP1 P22413 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
SCHEMBL3093093 0.90 MMP8 (0.43) LARS1LMNAF2ALDH1A1KMT2A
SCHEMBL3090643 0.89 LARS1 (0.43) LARS1LMNAF2ALDH1A1KMT2A
SCHEMBL3101128 0.88 ADAMTS5 (0.46) ALDH1A1KMT2A
SCHEMBL3093166 0.87 LARS1 (0.41) LARS1LMNAF2ALDH1A1KMT2A
SCHEMBL3096206 0.87 LARS1 (0.41) LARS1LMNAF2ALDH1A1KMT2A
SCHEMBL3085046 0.87 MMP8 (0.48) LARS1F2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL3091802 0.87 GAA (0.47) LMNAF2ALDH1A1SMN1; SMN2SCD
SCHEMBL3090840 0.84 LARS1 (0.58) LARS1LMNAF2ALDH1A1SLC1A3
SCHEMBL3097141 0.84 BCHE (0.39) LARS1ALDH1A1NR1I2SCDSCD5
Trifluoroacetic Acid SCHEMBL3091304 0.82 LARS1 (0.37) LARS1F2KMT2ANR1I2TRHDE

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2172450-B9 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-08 EP disclosed
EP-2172450-B1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2013-10-16 EP disclosed
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed
EP-2172450-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-04-07 EP disclosed