Lithium Ion

Lithium Ion

SCHEMBL7306311

CCCP(=O)([O-])NC(Cc1cccs1)C(=O)Nc1nc(CC(=O)[O-])cs1.[Li+].[Li+]

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

The experimentally established mechanism targets of Lithium Ion. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
POLB P06746 3/20 0.44
ESR2 Q92731 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
MME P08473 3/20 0.39
HSPA5 P11021 3/20 0.38
NPC1 O15118 2/20 0.38
PDE5A O76074 1/20 0.38
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.37
RECQL P46063 1/20 0.37
USP30 Q70CQ3 1/20 0.37
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 2/20 0.35
PKM P14618 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
Lithium Ion SCHEMBL7309260 0.88 MME (0.47) MEN1KMT2AL3MBTL1NPSR1MME
Lithium Ion SCHEMBL7304536 0.84 MME (0.42) MEN1KMT2AL3MBTL1NPSR1MME
SCHEMBL7298742 0.77 MME (0.46) MEN1KMT2AL3MBTL1NPSR1MME
SCHEMBL7305542 0.76 LMNA (0.53) NPSR1NPC1LMNASMN1; SMN2MAPT
SCHEMBL7298727 0.76 MEN1 (0.56) MEN1KMT2APOLBESR2L3MBTL1
SCHEMBL7305757 0.68 MEN1 (0.63) MEN1KMT2APOLBESR2L3MBTL1
SCHEMBL7310616 0.67 KMT2A (0.71) MEN1KMT2APOLBESR2L3MBTL1
SCHEMBL7301785 0.64 LMNA (0.52) NPSR1NPC1LMNASMN1; SMN2MAPT
SCHEMBL7308785 0.64 MME (0.44) NPSR1MMENPC1PDE5ALMNA
SCHEMBL7298781 0.61 MME (0.55) MMEHSPA5PDE5AALDH1A1

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-0636630-B1 N-heteroaryl substituted derivatives of propanamide useful in the treatment of cardiovascular diseases ZAMBON SPA (IT) 1999-04-28 EP disclosed
US-5438046-A Enzyme inhibitors ZAMBON GROUP S.P.A. (IT) 1995-08-01 US disclosed
EP-0636630-A1 N-heteroaryl substituted derivatives of propanamide useful in the treatment of cardiovascular diseases ZAMBON GROUP S.p.A. (IT) 1995-02-01 EP disclosed