Maleic Acid

Maleic Acid

SCHEMBL6964004

COc1cccc(C(=O)Nc2nc(C(=O)NCCN(C)C)cs2)c1OC.O=C(O)/C=C\C(=O)O

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2BTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3MPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PPARGSLC6A2SLC6A3SLC6A4SMOTYK2pol

The experimentally established mechanism targets of Maleic Acid. 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
ACHE P22303 2/20 0.51
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
GAA P10253 2/20 0.46
RAD52 P43351 2/20 0.44
SMARCA2 P51531 1/20 0.44
HPGD P15428 2/20 0.44
MME P08473 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK1 P28482 3/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TP53 P04637 2/20 0.42
PTK2 Q05397 1/20 0.41
TSHR P16473 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
MAP2K1 Q02750 1/20 0.40
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
Fumaric Acid SCHEMBL6964014 1.00 ACHE (0.51) ACHERAB9ANPC1GAARAD52
Maleic Acid SCHEMBL6976308 0.92 ACHE (0.52) ACHERAB9ANPC1RAD52SMARCA2
Maleic Acid SCHEMBL6973815 0.92 ACHE (0.54) ACHERAD52SMARCA2MMESMN1; SMN2
Fumaric Acid SCHEMBL6976317 0.92 ACHE (0.52) ACHERAB9ANPC1RAD52SMARCA2
Fumaric Acid SCHEMBL6973849 0.92 ACHE (0.54) ACHERAD52SMARCA2MMESMN1; SMN2
Fumaric Acid SCHEMBL6967326 0.92 ACHE (0.54) ACHERAB9ANPC1GAARAD52
Maleic Acid SCHEMBL6967317 0.92 ACHE (0.54) ACHERAB9ANPC1GAARAD52
SCHEMBL6973842 0.90 ACHE (0.51) ACHERAB9ANPC1GAARAD52
Fumaric Acid SCHEMBL6975157 0.89 KDM4E (0.51) ACHERAD52SMARCA2MMESMN1; SMN2
Maleic Acid SCHEMBL6975142 0.89 KDM4E (0.51) ACHERAD52SMARCA2MMESMN1; SMN2

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-0870765-B1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARM CO LTD (JP) 2003-11-19 EP disclosed
US-5981557-A HAVING IMPROVING EFFECTS ON THE DYSMOTILITY IN THE GASTROINTESTINAL TRACT ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-11-09 US disclosed
EP-0870765-A1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP disclosed