SCHEMBL28941982

SCHEMBL28941982

C=C(NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP19A1 P11511 1/20 0.43
IDO1 P14902 2/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
MMP1 P03956 2/20 0.41
MMP2 P08253 2/20 0.41
MMP3 P08254 2/20 0.41
MMP7 P09237 2/20 0.41
MMP9 P14780 2/20 0.41
MMP13 P45452 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
EEF2K O00418 1/20 0.41
GPR35 Q9HC97 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
SCHEMBL28941989 0.83 ALDH1A1 (0.51) SMN1; SMN2GAAKMT2AMMP1MMP2
SCHEMBL7389093 0.83 SMN1; SMN2 (0.55) KDM1ASMN1; SMN2CYP19A1IDO1GAA
SCHEMBL28941999 0.82 NHERF1 (0.53) SMN1; SMN2GAAKMT2AMMP1MMP2
SCHEMBL28942009 0.82 ALDH1A1 (0.52) SMN1; SMN2GAAKMT2ATDP1FLT1
SCHEMBL28942000 0.82 KMT2A (0.51) SMN1; SMN2GAAKMT2A
SCHEMBL28942001 0.81 EGFR (0.53) SMN1; SMN2MMP1MMP2MMP9MMP13
SCHEMBL28941974 0.79 KMT2A (0.53) SMN1; SMN2GAAKMT2AMMP1MMP2
SCHEMBL28942006 0.77 POLB (0.48) SMN1; SMN2GAAKMT2AMMP1MMP2
SCHEMBL20743530 0.76 ALDH1A1 (0.60) KDM1ASMN1; SMN2CYP19A1IDO1GAA
SCHEMBL30363330 0.75 GAA (0.55) SMN1; SMN2GAAKMT2AL3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115650885-A Preparation method of N-acyl-2-amino acrylate 新乡学院 2023-01-31 CN disclosed