SCHEMBL3469893

SCHEMBL3469893

O=C(O)C(Cc1cnn(Cc2cccc([N+](=O)[O-])c2)c1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 3/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 2/20 0.46
ALK Q9UM73 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
KMT2A Q03164 1/20 0.43

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
SCHEMBL3092696 0.86 TRPM8 (0.44) ALDH1A1LMNANPSR1KDM4EMAPT
SCHEMBL27787105 0.82 ALDH1A1 (0.53) ALDH1A1LMNANPSR1KDM4EMAPT
SCHEMBL3471108 0.81 L3MBTL1 (0.53) ALDH1A1LMNANPSR1MAPTSMN1; SMN2
SCHEMBL2830701 0.81 TSHR (0.57) ALDH1A1LMNAMAPTSMN1; SMN2POLB
SCHEMBL3083807 0.80 ALDH1A1 (0.43) ALDH1A1LMNANPSR1KDM4EMAPT
SCHEMBL3096936 0.79 ALDH1A1 (0.49) ALDH1A1LMNANPSR1KDM4EMAPT
SCHEMBL3470348 0.78 TGM2 (0.47) ALDH1A1LMNAKDM4ETDP1
SCHEMBL27787082 0.76 ALDH1A1 (0.46) ALDH1A1LMNANPSR1MAPTSMN1; SMN2
SCHEMBL15652816 0.76 ALDH1A1 (0.51) ALDH1A1LMNANPSR1KDM4EMAPT
SCHEMBL3091958 0.76 ALDH1A1 (0.48) ALDH1A1LMNANPSR1MAPTPOLB

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