Malonic Acid

Malonic Acid

SCHEMBL8548925

Cc1sc2ccc(NC(=O)c3ccc(F)cc3)cc2c1CCN(C)CCc1ccncc1.O=C(O)CC(=O)O

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.47
NAMPT P43490 5/20 0.42
HDAC1 Q13547 1/20 0.42
MAPK1 P28482 2/20 0.40
PDPK1 O15530 1/20 0.40
CHEK2 O96017 1/20 0.40
ABL1 P00519 1/20 0.40
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
NTRK1 P04629 1/20 0.40
MET P08581 1/20 0.40
PDGFRB P09619 1/20 0.40
KIT P10721 1/20 0.40
FGFR1 P11362 1/20 0.40
SRC P12931 1/20 0.40
PDGFRA P16234 1/20 0.40
FLT1 P17948 1/20 0.40
CSNK2A2 P19784 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR4 P22455 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
SCHEMBL8551891 0.97 HTR1F (0.49) HTR1FNAMPTHDAC1MAPK1PDPK1
Malonic Acid SCHEMBL8215354 0.83 HTR1F (0.70) HTR1FNAMPTHDAC1MAPK1MAPT
SCHEMBL8196218 0.79 HTR1F (0.75) HTR1FNAMPTMAPK1MAPTALDH1A1
SCHEMBL7141203 0.73 HTR1F (0.73) HTR1FNAMPTHDAC1MAPK1MAPT
SCHEMBL8551441 0.72 ACKR3 (0.49) HTR1FHDAC1MAPK1PDPK1CHEK2
SCHEMBL7140234 0.72 HTR1F (0.77) HTR1FMAPK1PDPK1CHEK2ABL1
SCHEMBL8553688 0.72 HTR1F (0.42) HTR1FACKR3MAPTCTNNB1TCF7L2
Hydrochloric Acid SCHEMBL7140335 0.71 HTR1F (0.76) HTR1FMAPK1PDPK1CHEK2ABL1
SCHEMBL8551217 0.70 GNRHR (0.37) HDAC1ALDH1A1SMN1; SMN2KDM4ETDP1
SCHEMBL8552249 0.69 F2R (0.43) HTR1FNAMPTMAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998015545-A1 NEW SEROTONIN 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1998-04-16 WO disclosed
EP-0835869-A2 New serotonin 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed