SCHEMBL3470348

SCHEMBL3470348

O=C(O)C(Cc1cnn(Cc2ccccc2[N+](=O)[O-])c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.47
TYR P14679 1/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4A O75164 1/20 0.39
ALOX5 P09917 1/20 0.39
PTGES2 Q9H7Z7 1/20 0.39
TAS2R8 Q9NYW2 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
SCHEMBL3084672 0.86 ALDH1A1 (0.40) TGM2TYRALDH1A1KDM4ELMNA
SCHEMBL28787492 0.81 TGM2 (0.46) TGM2TYRALDH1A1KDM4ELMNA
SCHEMBL3080395 0.80 ALDH1A1 (0.38) TGM2ALDH1A1KDM4ELMNATDP1
SCHEMBL3097443 0.80 ALDH1A1 (0.55) ALDH1A1KDM4ELMNAKDM4A
SCHEMBL3469954 0.80 ATM (0.46) TYRALDH1A1LMNATDP1
SCHEMBL3471108 0.79 L3MBTL1 (0.53) ALDH1A1LMNATDP1
SCHEMBL3093669 0.79 TGM2 (0.44) TGM2TYRALDH1A1KDM4ELMNA
SCHEMBL3469893 0.78 ALDH1A1 (0.48) ALDH1A1KDM4ELMNATDP1
SCHEMBL17443354 0.77 TGM2 (0.47) TGM2TYRALDH1A1KDM4ELMNA
SCHEMBL3096665 0.76 ALDH1A1 (0.55) ALDH1A1

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 3 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
EP-2172450-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-04-07 EP disclosed