Malonic Acid

Malonic Acid

SCHEMBL30417293

O=C(Nc1ccccn1)c1ccccc1C(F)(F)F.O=C(O)CC(=O)O

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
KDM4E B2RXH2 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
CHRNB2 P17787 1/20 0.56
CHRNB4 P30926 1/20 0.56
CHRNA3 P32297 1/20 0.56
CHRNA4 P43681 1/20 0.56
SGMS2 Q8NHU3 1/20 0.53
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
GAA P10253 2/20 0.51
TP53 P04637 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CTNNB1 P35222 1/20 0.50
WNT3A P56704 1/20 0.50
LMNA P02545 1/20 0.50
PTGES O14684 1/20 0.49
KCNK3 O14649 1/20 0.49
KCNK9 Q9NPC2 1/20 0.49

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
SCHEMBL30417052 0.93 MEN1 (0.63) MEN1KMT2AKDM4EL3MBTL1CHRNB2
SCHEMBL27486980 0.93 MEN1 (0.63) MEN1KMT2AKDM4EL3MBTL1CHRNB2
Hydrochloric Acid SCHEMBL30416887 0.92 MEN1 (0.61) MEN1KMT2AKDM4EL3MBTL1CHRNB2
SCHEMBL30589562 0.82 GAA (0.54) MEN1KMT2AKDM4EL3MBTL1GAA
SCHEMBL11838491 0.82 MEN1 (0.56) MEN1KMT2AKDM4EL3MBTL1CHRNB2
SCHEMBL27489099 0.79 MEN1 (0.52) MEN1KMT2AKDM4EL3MBTL1CHRNB2
SCHEMBL20610064 0.78 SORT1 (0.67) MEN1KMT2AKDM4EL3MBTL1CHRNB2
SCHEMBL1818730 0.78 SORT1 (0.67) MEN1KMT2AKDM4EL3MBTL1CHRNB2
SCHEMBL30417260 0.78 SORT1 (0.67) MEN1KMT2AKDM4EL3MBTL1CHRNB2
SCHEMBL5234574 0.76 HCAR3 (0.63) MEN1KMT2AKDM4EL3MBTL1NPC1

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
CN-110869350-B Alkynyl compounds, their preparation and their therapeutic use 赛诺菲 2023-05-02 CN claimed
CN-110869350-B Alkynyl compounds, their preparation and their therapeutic use 赛诺菲 2023-05-02 CN disclosed