SCHEMBL21443551

SCHEMBL21443551

N=C(NC(=O)OCc1ccccc1)SCCCS(=O)(=O)CCc1nnc(NC(=O)OCc2ccccc2)s1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GLS O94925 13/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
KDM4E B2RXH2 2/20 0.48
USP2 O75604 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.47
POLB P06746 1/20 0.44

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 0.86 SMN1; SMN2 (0.72) GLSSMN1; SMN2KDM4EUSP2HPGD
SCHEMBL21443522 0.77 SMN1; SMN2 (0.59) GLSSMN1; SMN2KDM4EUSP2HPGD
SCHEMBL21443394 0.77 GLS (0.74) GLSSMN1; SMN2KDM4EUSP2HPGD
SCHEMBL21443545 0.75 SMN1; SMN2 (0.59) GLSSMN1; SMN2KDM4EUSP2HPGD
SCHEMBL21443388 0.72 SMN1; SMN2 (0.69) GLSSMN1; SMN2KDM4EUSP2HPGD
SCHEMBL14987311 0.72 GLS (1.00) GLSSMN1; SMN2
SCHEMBL17193290 0.71 GLS (0.65) GLSSMN1; SMN2KDM4EUSP2HPGD
SCHEMBL15724894 0.70 GLS (0.76) GLS
SCHEMBL15724909 0.69 RAB9A (0.67) GLSSMN1; SMN2HSD17B10LMNAPOLB
SCHEMBL17655082 0.69 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