SCHEMBL8043989

SCHEMBL8043989

Cn1nnc(Sc2nccs2)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 12/20 0.42
PDK1 Q15118 1/20 0.42
HTR7 P34969 1/20 0.37
FLT3 P36888 1/20 0.34
KDM1A O60341 1/20 0.33
FDPS P14324 1/20 0.33
POLB P06746 1/20 0.31
NPC1 O15118 2/20 0.31
PKM P14618 2/20 0.31
RAB9A P51151 2/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30

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
SCHEMBL8033274 0.80 FBP1 (0.41) FBP1PDK1HTR7FLT3KDM1A
SCHEMBL8043899 0.80 FBP1 (0.39) FBP1PDK1HTR7FLT3KDM1A
SCHEMBL8050950 0.80 FBP1 (0.39) FBP1PDK1HTR7FLT3KDM1A
SCHEMBL8050943 0.80 FBP1 (0.42) FBP1PDK1HTR7FLT3KDM1A
SCHEMBL8044818 0.78 RAB9A (0.41) FBP1PDK1HTR7KDM1ANPC1
SCHEMBL8042933 0.72 DCUN1D1 (0.37) FBP1PDK1NPC1RAB9AKMT2A
SCHEMBL8051281 0.72 MEN1 (0.39) FBP1PDK1HTR7FDPSRECQL
SCHEMBL8042935 0.71 NPC1 (0.40) FBP1PDK1HTR7NPC1PKM
SCHEMBL8045945 0.71 RAB9A (0.46) FBP1NPC1RAB9A
SCHEMBL7114230 0.71 FBP1 (0.70) FBP1PDK1HTR7FLT3KDM1A

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