SCHEMBL9360711

SCHEMBL9360711

O=C(O)/C=C\C(=O)Nc1ccccc1.[Zn]

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.76
MAPT P10636 6/20 0.76
KDM4E B2RXH2 3/20 0.76
LPAR2 Q9HBW0 2/20 0.75
LPAR1 Q92633 1/20 0.75
LPAR3 Q9UBY5 2/20 0.71
MEN1 O00255 1/20 0.71
KMT2A Q03164 1/20 0.71
L3MBTL1 Q9Y468 2/20 0.69
TDP2 O95551 1/20 0.69
GAA P10253 1/20 0.69
THRB P10828 1/20 0.69
NMT1 P30419 1/20 0.67
HTT P42858 1/20 0.65
RECQL P46063 1/20 0.65
POLB P06746 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
EGFR P00533 1/20 0.63
MMP1 P03956 1/20 0.63
MMP2 P08253 1/20 0.63

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
SCHEMBL1683255 0.98 ALDH1A1 (0.79) ALDH1A1MAPTKDM4ELPAR2LPAR1
SCHEMBL1169889 0.98 ALDH1A1 (0.79) ALDH1A1MAPTKDM4ELPAR2LPAR1
SCHEMBL2831352 0.98 ALDH1A1 (0.79) ALDH1A1MAPTKDM4ELPAR2LPAR1
SCHEMBL29262225 0.96 ALDH1A1 (0.76) ALDH1A1MAPTKDM4ELPAR2LPAR1
SCHEMBL15667293 0.96 ALDH1A1 (0.76) ALDH1A1MAPTKDM4ELPAR2LPAR1
Cyclohexane SCHEMBL11782389 0.92 ALDH1A1 (0.71) ALDH1A1MAPTKDM4ELPAR2LPAR1
SCHEMBL6302448 0.91 MMP1 (0.73) ALDH1A1MAPTKDM4ELPAR2LPAR1
SCHEMBL9840923 0.91 MMP1 (0.73) ALDH1A1MAPTKDM4ELPAR2LPAR1
SCHEMBL6302452 0.91 MMP1 (0.73) ALDH1A1MAPTKDM4ELPAR2LPAR1
SCHEMBL4937846 0.90 ALDH1A1 (0.74) ALDH1A1MAPTKDM4ELPAR2LPAR1

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-0372922-B1 Preparation process of N-substituted maleimides MITSUI TOATSU CHEMICALS (JP) 1994-03-09 EP disclosed
US-5175309-A Forming an imide by heat catalytic dehydration MITSUI TOATSU CHEMICALS INC. (JP) 1992-12-29 US disclosed
EP-0372922-A2 Preparation process of N-substituted maleimides MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-06-13 EP disclosed