SCHEMBL19920147

SCHEMBL19920147

O=C(Cc1c(F)cccc1F)Nc1nnc(CCSCCc2nnc(NC(O)Cc3c(F)cccc3F)s2)s1

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GLS O94925 19/20 0.82
HTT P42858 1/20 0.52

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
SCHEMBL14987210 0.91 GLS (1.00) GLS
SCHEMBL14987645 0.80 GLS (1.00) GLSHTT
SCHEMBL14987649 0.79 GLS (1.00) GLS
SCHEMBL19919947 0.78 GLS (0.81) GLS
SCHEMBL22623513 0.78 GLS (0.81) GLS
SCHEMBL19920051 0.76 GLS (0.82) GLS
SCHEMBL21368934 0.76 GLS (0.69) GLSHTT
SCHEMBL21484925 0.75 GLS (0.86) GLSHTT
SCHEMBL14987239 0.75 GLS (1.00) GLS
SCHEMBL21484494 0.74 GLS (0.79) 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
WO-2018039442-A1 TREATMENT OF CANCER WITH INHIBITORS OF GLUTAMINASE CALITHERA BIOSCIENCES, INC. (US) 2018-03-01 WO disclosed