SCHEMBL21443516

SCHEMBL21443516

CNc1nnc(CCCCc2nnc(NC(=O)CCCc3ccccc3)s2)s1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GLS O94925 13/20 0.68
L3MBTL1 Q9Y468 2/20 0.65
ALDH1A1 P00352 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
TP53 P04637 1/20 0.61
POLB P06746 1/20 0.61
TSHR P16473 1/20 0.61
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61

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
SCHEMBL15727658 0.94 GLS (0.76) GLSL3MBTL1ALDH1A1SMN1; SMN2TP53
SCHEMBL21443376 0.88 GLS (0.88) GLS
SCHEMBL14987543 0.87 GLS (0.78) GLSL3MBTL1ALDH1A1SMN1; SMN2TP53
SCHEMBL15724907 0.86 GLS (0.78) GLSL3MBTL1ALDH1A1SMN1; SMN2TP53
SCHEMBL21443326 0.86 GLS (0.59) GLSL3MBTL1CYP1A2CYP3A4CYP2C9
SCHEMBL21443335 0.85 GLS (0.59) GLSL3MBTL1CYP1A2CYP3A4CYP2C9
SCHEMBL21443424 0.83 GLS (0.69) GLSALDH1A1POLBRAB9A
SCHEMBL21443454 0.81 GLS (0.61) GLS
SCHEMBL17432944 0.81 GLS (1.00) GLS
SCHEMBL15727681 0.81 GLS (0.78) GLSALDH1A1SMN1; SMN2TP53

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