SCHEMBL8046775

SCHEMBL8046775

OCc1nnc(Sc2nccs2)s1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 12/20 0.42
PDK1 Q15118 1/20 0.42
HTR7 P34969 1/20 0.37
FDPS P14324 1/20 0.37
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
FLT3 P36888 1/20 0.31
KDM1A O60341 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 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
SCHEMBL8032711 0.87 FBP1 (0.40) FBP1PDK1HTR7FDPSGABRA1
SCHEMBL8048705 0.83 FBP1 (0.46) FBP1PDK1HTR7FDPSGABRA1
SCHEMBL8051741 0.81 GSK3B (0.39) FBP1PDK1HTR7FDPSGABRA1
SCHEMBL8031756 0.81 FBP1 (0.44) FBP1PDK1HTR7FDPSGABRA1
SCHEMBL8042143 0.81 POLB (0.42) FBP1PDK1HTR7GABRA1GABRG2
SCHEMBL8033947 0.80 F2 (0.45) FBP1PDK1HTR7FDPSGABRA1
SCHEMBL8043809 0.80 FBP1 (0.42) FBP1PDK1HTR7GABRA1GABRG2
SCHEMBL8032531 0.79 APEX1 (0.37) FBP1PDK1FDPSALDH1A1
SCHEMBL8048610 0.77 ALDH1A1 (0.46) FBP1PDK1ALDH1A1TSHR
SCHEMBL8045795 0.76 ATM (0.48) FBP1PDK1ALDH1A1

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