SCHEMBL8043899

SCHEMBL8043899

CC(C)n1nnc(Sc2nccs2)n1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 9/20 0.39
PDK1 Q15118 1/20 0.39
HTR7 P34969 1/20 0.34
FDPS P14324 1/20 0.34
FLT3 P36888 1/20 0.32
KDM1A O60341 1/20 0.32

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
SCHEMBL8710115 0.88 FBP1 (0.30) FBP1PDK1
SCHEMBL8043989 0.80 FBP1 (0.42) FBP1PDK1HTR7FDPSFLT3
SCHEMBL8050950 0.79 FBP1 (0.39) FBP1PDK1HTR7FDPSFLT3
SCHEMBL8050943 0.79 FBP1 (0.42) FBP1PDK1HTR7FDPSFLT3
SCHEMBL8042936 0.76 RAB9A (0.32)
SCHEMBL8033274 0.74 FBP1 (0.41) FBP1PDK1HTR7FLT3KDM1A
SCHEMBL8044818 0.71 RAB9A (0.41) FBP1PDK1HTR7KDM1A
SCHEMBL8048086 0.70 FBP1 (0.39) FBP1PDK1HTR7FDPS
SCHEMBL8044148 0.70
SCHEMBL8050844 0.69 ALDH1A1 (0.47) FBP1PDK1HTR7

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
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed