SCHEMBL3469641

SCHEMBL3469641

O=C(O)C(Cc1cnn(Cc2ccc(F)cc2F)c1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 2/20 0.44
HDAC1 Q13547 2/20 0.41
ADORA2B P29275 1/20 0.40
HDAC7 Q8WUI4 1/20 0.39
ALKBH1 Q13686 1/20 0.39
SCD O00767 1/20 0.39
SCD5 Q86SK9 1/20 0.39
LMNA P02545 1/20 0.38
FSCN1 Q16658 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
JAK3 P52333 1/20 0.37
TAS2R8 Q9NYW2 1/20 0.37
HSD17B10 Q99714 1/20 0.36
MET P08581 1/20 0.36

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
SCHEMBL3097443 0.85 ALDH1A1 (0.55) KLKB1HDAC1SCDSCD5LMNA
SCHEMBL3100595 0.84 KLKB1 (0.38) KLKB1HDAC1ADORA2BSCDSCD5
SCHEMBL3469650 0.83 LMNA (0.53) SCD5LMNAALDH1A1MAPTPOLB
SCHEMBL3100268 0.81 KLKB1 (0.43) KLKB1HDAC1ADORA2BHDAC7ALKBH1
SCHEMBL15014141 0.79 ADORA2B (0.46) KLKB1HDAC1ADORA2BLMNAALDH1A1
SCHEMBL3091791 0.79 MAPT (0.43) KLKB1HDAC1ADORA2BHDAC7LMNA
SCHEMBL3100451 0.78 ALDH1A1 (0.39) KLKB1ADORA2BSCDSCD5FSCN1
SCHEMBL3097709 0.78 KLKB1 (0.45) KLKB1HDAC1ADORA2BHDAC7ALKBH1
Hydrochloric Acid SCHEMBL21491801 0.78 MAPT (0.46) KLKB1HDAC1ADORA2BHDAC7LMNA
SCHEMBL13181121 0.76 ADORA2B (0.47) KLKB1HDAC1ADORA2BHDAC7LMNA

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