Malonic Acid

Malonic Acid

SCHEMBL6672043

CC(=O)NCc1cscn1.O=C(O)CC(=O)O

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.46
KDM4C Q9H3R0 1/20 0.46
KDM4E B2RXH2 2/20 0.42
GPR142 Q7Z601 6/20 0.41
KMT2A Q03164 2/20 0.41
ALOX15 P16050 1/20 0.41
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
PDE10A Q9Y233 1/20 0.39
CTSK P43235 1/20 0.39
VHL P40337 1/20 0.38
MAPK1 P28482 2/20 0.38
PKM P14618 1/20 0.36
SLC6A3 Q01959 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL6099838 0.93 NPSR1 (0.52) NPSR1KDM4CKDM4EGPR142KMT2A
SCHEMBL17025004 0.80 KDM4C (0.51) NPSR1KDM4CKDM4EGPR142ADORA2A
SCHEMBL4385833 0.78 KDM4E (0.42) NPSR1KDM4CKDM4EMAPK1PKM
SCHEMBL17038776 0.76 PDE10A (0.45) NPSR1KDM4CKDM4EGPR142ADORA2A
SCHEMBL20024587 0.76 KDM4C (0.48) NPSR1KDM4CKDM4EGPR142ADORA2A
SCHEMBL4779863 0.76 LMNA (0.44) NPSR1KDM4CKDM4EGPR142KMT2A
SCHEMBL30223118 0.75 KDM4C (0.47) NPSR1KDM4CKDM4EGPR142ADORA2A
SCHEMBL12265803 0.75 KDM4C (0.43) NPSR1KDM4CKDM4EGPR142ADORA2A
Malonic Acid SCHEMBL6672041 0.72 KDM4C (0.39) NPSR1KDM4CKDM4EGPR142ADORA2A
SCHEMBL8077417 0.72 HPGD (0.46) NPSR1KDM4CKDM4EGPR142KMT2A

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-1069118-B1 PROCESS FOR PRODUCING 4-THIAZOLYLMETHYL DERIVATIVE SHIONOGI & CO (JP) 2004-09-22 EP disclosed
US-6506903-B1 By reacting 4-methylthiazole with N-halosuccinimide in solvent in presence of 2,2-azobisisobutyronitrile; halogenation, catalysis SHIONOGI & CO., LTD. (JP) 2003-01-14 US disclosed
EP-1069118-A1 PROCESS FOR PRODUCING 4-THIAZOLYLMETHYL DERIVATIVE SHIONOGI & CO., LTD. (JP) 2001-01-17 EP disclosed