SCHEMBL3471108

SCHEMBL3471108

O=C(O)C(Cc1cnn(Cc2ccccc2)c1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.53
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ACACB O00763 2/20 0.46
SCD O00767 3/20 0.46
SCD5 Q86SK9 3/20 0.46
ITK Q08881 1/20 0.46
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CREBBP Q92793 2/20 0.45
ERCC5 P28715 1/20 0.45
HDAC1 Q13547 1/20 0.44
LMNA P02545 1/20 0.44
KLKB1 P03952 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL3096428 0.88 HSD17B10 (0.55) L3MBTL1POLBTDP1HSD17B10MAPT
SCHEMBL3469650 0.87 LMNA (0.53) POLBHSD17B10SCD5MAPTHTT
SCHEMBL3469954 0.86 ATM (0.46) L3MBTL1POLBTDP1HSD17B10SCD5
SCHEMBL3090818 0.86 L3MBTL1 (0.43) L3MBTL1POLBTDP1HDAC3HDAC8
SCHEMBL3470506 0.83 GAA (0.48) L3MBTL1POLBTDP1HSD17B10MAPT
SCHEMBL3470605 0.83 ERCC5 (0.50) L3MBTL1SCDSCD5MAPTNPSR1
SCHEMBL3097443 0.83 ALDH1A1 (0.55) L3MBTL1SCDSCD5MAPTHTT
SCHEMBL3097169 0.83 ALDH1A1 (0.40) L3MBTL1POLBTDP1HDAC3HDAC8
SCHEMBL3469893 0.81 ALDH1A1 (0.48) L3MBTL1POLBTDP1MAPTNPSR1
SCHEMBL14706819 0.81 L3MBTL1 (0.56) L3MBTL1HDAC3HDAC8NCOR2ACACB

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