SCHEMBL8033947

SCHEMBL8033947

NC(=O)Cc1nnc(Sc2nccs2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.45
FBP1 P09467 4/20 0.37
PDK1 Q15118 1/20 0.37
HTR7 P34969 1/20 0.36
FDPS P14324 1/20 0.36
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 1/20 0.32
MGAM O43451 1/20 0.31

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
SCHEMBL8051741 0.87 GSK3B (0.39) FBP1PDK1HTR7FDPSALDH1A1
SCHEMBL8046775 0.80 FBP1 (0.42) FBP1PDK1HTR7FDPSALDH1A1
SCHEMBL8042626 0.80 SMN1; SMN2 (0.45) ALDH1A1RAB9ATSHRMEN1KMT2A
SCHEMBL8032531 0.79 APEX1 (0.37) FBP1PDK1FDPSALDH1A1MGAM
SCHEMBL8032711 0.78 FBP1 (0.40) FBP1PDK1HTR7FDPSGABRA1
SCHEMBL8048705 0.77 FBP1 (0.46) FBP1PDK1HTR7FDPSALDH1A1
SCHEMBL8034054 0.76 F2 (0.44) F2ALDH1A1LMNARAB9AL3MBTL1
SCHEMBL8032831 0.76 MEN1 (0.44) F2ALDH1A1LMNARAB9AL3MBTL1
SCHEMBL8043440 0.75 F2 (0.43) F2ALDH1A1GAA
SCHEMBL8031756 0.75 FBP1 (0.44) FBP1PDK1HTR7FDPSALDH1A1

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