SCHEMBL6973842

SCHEMBL6973842

COc1cccc(C(=O)Nc2nc(C(=O)NCCN(C)C)cs2)c1OC(=O)/C=C\C(=O)Oc1c(OC)cccc1C(=O)Nc1nc(C(=O)NCCN(C)C)cs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.51
RAD52 P43351 4/20 0.44
SMARCA2 P51531 1/20 0.44
MME P08473 1/20 0.41
MAPK1 P28482 3/20 0.40
MAPKAPK2 P49137 1/20 0.40
MAP2K1 Q02750 1/20 0.40
RAB9A P51151 3/20 0.39
HPGD P15428 2/20 0.39
NPC1 O15118 2/20 0.39
GAA P10253 1/20 0.39
PTK2 Q05397 1/20 0.39
UHRF1 Q96T88 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38

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 0.90 ACHE (0.51) ACHERAD52SMARCA2MMEMAPK1
Maleic Acid SCHEMBL6964004 0.90 ACHE (0.51) ACHERAD52SMARCA2MMEMAPK1
Maleic Acid SCHEMBL6973815 0.85 ACHE (0.54) ACHERAD52SMARCA2MMEMAPK1
Fumaric Acid SCHEMBL6973849 0.85 ACHE (0.54) ACHERAD52SMARCA2MMEMAPK1
Maleic Acid SCHEMBL6967317 0.85 ACHE (0.54) ACHERAD52SMARCA2MMERAB9A
Fumaric Acid SCHEMBL6967326 0.85 ACHE (0.54) ACHERAD52SMARCA2MMERAB9A
SCHEMBL6976514 0.84 ACHE (0.60) ACHERAD52SMARCA2MMEMAPK1
Maleic Acid SCHEMBL6976308 0.83 ACHE (0.52) ACHERAD52SMARCA2MMEMAPK1
Fumaric Acid SCHEMBL6976317 0.83 ACHE (0.52) ACHERAD52SMARCA2MMEMAPK1
Fumaric Acid SCHEMBL6975157 0.82 KDM4E (0.51) ACHERAD52SMARCA2MMEMAPK1

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