SCHEMBL3470993

SCHEMBL3470993

O=C(O)C(Cc1csc(-c2ccc(F)cc2F)n1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 4/20 0.43
KMO O15229 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 3/20 0.42
EIF4E P06730 3/20 0.42
GAA P10253 1/20 0.42
SHMT1 P34896 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
LDHA P00338 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
SCHEMBL3092693 0.83 KDM4E (0.39) LMNAKDM4ESMN1; SMN2MAPTNPC1
SCHEMBL3093212 0.80 KDM4E (0.43) LMNAKDM4ESMN1; SMN2MAPTKMO
SCHEMBL5717729 0.80 LMNA (0.51) LMNAKDM4ESMN1; SMN2MAPTKMO
SCHEMBL4900754 0.77 LMNA (0.45) LMNAKDM4ESMN1; SMN2MAPTNPC1
SCHEMBL3100563 0.77 MAPT (0.43) LMNAKDM4ESMN1; SMN2MAPTNPC1
SCHEMBL6477011 0.77 ALDH1A1 (0.51) LMNAKDM4ESMN1; SMN2MAPTNPC1
SCHEMBL15014149 0.77 MAPT (0.45) LMNAKDM4ESMN1; SMN2MAPTNPC1
SCHEMBL3542428 0.76 LDHA (0.57) LMNAKDM4ESMN1; SMN2KMORAB9A
SCHEMBL4894623 0.76 LMNA (0.46) LMNAKDM4ESMN1; SMN2MAPTNPC1
SCHEMBL4904153 0.74 MAPT (0.56) LMNAKDM4ESMN1; SMN2MAPTNPC1

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