SCHEMBL8043463

SCHEMBL8043463

c1csc(Sc2nnn[nH]2)n1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 14/20 0.47
PDK1 Q15118 1/20 0.47
HTR7 P34969 1/20 0.40
FDPS P14324 1/20 0.36
FLT3 P36888 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
NOS1 P29475 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL7114230 0.75 FBP1 (0.70) FBP1PDK1HTR7FDPSFLT3
SCHEMBL8718458 0.70 FBP1 (0.35) FBP1PDK1
SCHEMBL8033034 0.67 FBP1 (0.47) FBP1PDK1HTR7FDPSFLT3
SCHEMBL4195087 0.66
SCHEMBL909645 0.65 METAP1 (0.41) FBP1PDK1ALDH1A1TSHRNOS1
SCHEMBL10504608 0.65 DDAH1 (0.50) NOS1
SCHEMBL191350 0.65 FBP1 (1.00) FBP1PDK1HTR7FDPSSMN1; SMN2
SCHEMBL8051506 0.64 ALDH1A1 (0.53) FBP1PDK1HTR7SMN1; SMN2ALDH1A1
SCHEMBL10532248 0.64 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL8038016 0.63 HTT (0.46) FBP1PDK1SMN1; SMN2ALDH1A1TSHR

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