SCHEMBL21443545

SCHEMBL21443545

C/C=C\C(=C/C)COC(=O)Nc1nnc(CCS(=O)(=O)CCc2nnc(NC(=O)OCc3ccccc3)s2)s1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
GLS O94925 7/20 0.55
LMNA P02545 2/20 0.52
KDM4E B2RXH2 2/20 0.52
USP2 O75604 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
GAA P10253 1/20 0.48
POLB P06746 1/20 0.47
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL15724908 0.87 SMN1; SMN2 (0.72) SMN1; SMN2GLSLMNAKDM4EUSP2
SCHEMBL21443522 0.79 SMN1; SMN2 (0.59) SMN1; SMN2GLSLMNAKDM4EUSP2
SCHEMBL21443551 0.75 GLS (0.55) SMN1; SMN2GLSLMNAKDM4EUSP2
SCHEMBL21443394 0.74 GLS (0.74) SMN1; SMN2GLSLMNAKDM4EUSP2
SCHEMBL17193290 0.72 GLS (0.65) SMN1; SMN2GLSLMNAKDM4EUSP2
SCHEMBL21443388 0.72 SMN1; SMN2 (0.69) SMN1; SMN2GLSLMNAKDM4EUSP2
SCHEMBL15724894 0.71 GLS (0.76) GLS
SCHEMBL14987311 0.71 GLS (1.00) SMN1; SMN2GLS
SCHEMBL15724909 0.70 RAB9A (0.67) SMN1; SMN2GLSLMNAHSD17B10POLB
SCHEMBL17655082 0.70 GLS (0.80) GLS

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
EP-2922832-B1 GLUTAMINASE INHIBITORS AND METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2019-10-09 EP disclosed