Malonic Acid

Malonic Acid

SCHEMBL2887012

NC(=O)c1ccsc1C(N)=O.O=C(O)CC(=O)O

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
BCAT2 O15382 1/20 0.47
MAPK8 P45983 9/20 0.46
PTK2 Q05397 1/20 0.46
MAPK10 P53779 4/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
TP53 P04637 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL2889862 0.88 MAPT (0.61) MAPTALDH1A1MEN1MAPK1KMT2A
SCHEMBL4908303 0.80 BCAT2 (0.53) MAPTALDH1A1MEN1MAPK1KMT2A
SCHEMBL3979989 0.80 ALDH1A1 (0.57) MAPTALDH1A1MEN1MAPK1KMT2A
SCHEMBL21771887 0.79 BCAT2 (0.45) MAPTALDH1A1MEN1MAPK1KMT2A
SCHEMBL5176074 0.76 ALDH1A1 (0.52) MAPTALDH1A1MEN1MAPK1KMT2A
SCHEMBL3375243 0.75 MAPT (0.55) MAPTALDH1A1MEN1MAPK1KMT2A
SCHEMBL3977005 0.74 ALDH1A1 (0.55) MAPTALDH1A1MEN1MAPK1KMT2A
SCHEMBL29795096 0.74 MAPT (0.46) MAPTALDH1A1MEN1MAPK1KMT2A
SCHEMBL11498343 0.71 PTK2 (0.56) MAPTALDH1A1MEN1MAPK1KMT2A
SCHEMBL30511206 0.71 MAPK8 (0.49) MAPTALDH1A1MEN1MAPK1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7758889-B1 Fullerenes in targeted therapies LUNA INNOVATIONS INCORPORATED (US) 2010-07-20 US disclosed