SCHEMBL29351249

SCHEMBL29351249

O=C(NCc1cc(C(F)(F)F)ccn1)c1nnc(Br)s1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GLS O94925 19/20 0.53
SORT1 Q99523 1/20 0.46

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
SCHEMBL18352884 1.00 GLS (0.53) GLSSORT1
SCHEMBL31497048 0.86 GLS (0.68) GLS
SCHEMBL23307892 0.82 GLS (0.57) GLS
SCHEMBL29349720 0.81 GLS (0.51) GLSSORT1
SCHEMBL31497009 0.81 GLS (0.76) GLS
SCHEMBL31497003 0.81 GLS (0.62) GLSSORT1
SCHEMBL31497005 0.80 GLS (0.61) GLS
SCHEMBL18357850 0.79 MAOB (0.42) GLS
SCHEMBL13570886 0.78 GLS (0.52) GLSSORT1
SCHEMBL31497011 0.78 GLS (0.64) 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
CN-107921044-B GLS1 inhibitors for the treatment of disease 德州大学系统董事会 2022-01-21 CN disclosed