SCHEMBL3469954

SCHEMBL3469954

O=C(O)C(Cc1cnn(Cc2ccccc2Cl)c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
HPGD P15428 2/20 0.44
LMNA P02545 1/20 0.44
SCD5 Q86SK9 1/20 0.43
NPSR1 Q6W5P4 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
KLKB1 P03952 1/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 2/20 0.41
BLM P54132 1/20 0.41
GPR35 Q9HC97 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL3100513 0.88 HPGD (0.43) ATMHPGDLMNASCD5NPSR1
SCHEMBL3471108 0.86 L3MBTL1 (0.53) LMNASCD5NPSR1ALDH1A1MAPT
SCHEMBL3085097 0.85 TP53 (0.43) ATMHPGDLMNASCD5NPSR1
SCHEMBL3097443 0.84 ALDH1A1 (0.55) ATMHPGDLMNASCD5ALDH1A1
SCHEMBL3096428 0.81 HSD17B10 (0.55) HPGDLMNANPSR1ALDH1A1MAPT
SCHEMBL3470348 0.80 TGM2 (0.47) LMNAALDH1A1TDP1TYR
SCHEMBL3103644 0.80 ALDH1A1 (0.43) HPGDLMNASCD5ALDH1A1MAPT
SCHEMBL3093281 0.79 ALDH1A1 (0.41) HPGDLMNAALDH1A1MAPTMEN1
SCHEMBL15155096 0.78 LMNA (0.57) ATMHPGDLMNASCD5NPSR1
SCHEMBL3092873 0.78 HPGD (0.49) ATMHPGDLMNASCD5NPSR1

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