SCHEMBL8043809

SCHEMBL8043809

CCCCc1nnc(Sc2nccs2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 4/20 0.42
PDK1 Q15118 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HTR7 P34969 1/20 0.37
KMT2A Q03164 2/20 0.33
POLB P06746 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33
GAPDH P04406 1/20 0.33
ALOX15 P16050 1/20 0.33
NR4A1 P22736 1/20 0.33
APEX1 P27695 1/20 0.33
PTPN7 P35236 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL8031756 0.92 FBP1 (0.44) FBP1PDK1ALDH1A1HTR7KMT2A
SCHEMBL8048705 0.86 FBP1 (0.46) FBP1PDK1ALDH1A1HTR7KMT2A
SCHEMBL8032711 0.83 FBP1 (0.40) FBP1PDK1HTR7GABRA1GABRG2
SCHEMBL8042143 0.80 POLB (0.42) FBP1PDK1ALDH1A1HTR7KMT2A
SCHEMBL8046775 0.80 FBP1 (0.42) FBP1PDK1ALDH1A1HTR7GABRA1
SCHEMBL8045795 0.78 ATM (0.48) FBP1PDK1ALDH1A1KMT2APOLB
SCHEMBL8032531 0.78 APEX1 (0.37) FBP1PDK1ALDH1A1APEX1
SCHEMBL8042395 0.78 ALDH1A1 (0.38) FBP1ALDH1A1KMT2APOLBMEN1
SCHEMBL8044906 0.76 MEN1 (0.41) ALDH1A1KMT2APOLBMEN1TSHR
SCHEMBL8051741 0.75 GSK3B (0.39) FBP1PDK1ALDH1A1HTR7KMT2A

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