SCHEMBL8048536

SCHEMBL8048536

Nc1nnc(Sc2nccs2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 5/20 0.47
PDK1 Q15118 1/20 0.47
MAPK8 P45983 1/20 0.46
MAPK9 P45984 1/20 0.46
MAPK10 P53779 1/20 0.46
ALDH1A1 P00352 3/20 0.45
TSHR P16473 1/20 0.45
NOS1 P29475 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 1/20 0.42
ICAM1 P05362 1/20 0.40
SELE P16581 1/20 0.40
VCAM1 P19320 1/20 0.40
MAPK1 P28482 2/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
PAX8 Q06710 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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 0.79 FBP1 (0.70) FBP1PDK1ALDH1A1TSHRNOS1
SCHEMBL8043078 0.78 FBP1 (0.47) FBP1PDK1ALDH1A1TSHRHSD17B10
SCHEMBL8044127 0.74 FBP1 (0.42) FBP1PDK1HTR7
SCHEMBL8048705 0.74 FBP1 (0.46) FBP1PDK1ALDH1A1TSHRICAM1
SCHEMBL8047678 0.74 FBP1 (0.42) FBP1PDK1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL8046775 0.74 FBP1 (0.42) FBP1PDK1ALDH1A1TSHRMAPK1
SCHEMBL8044770 0.74 FBP1 (0.43) FBP1PDK1ALDH1A1HTR7
SCHEMBL9100372 0.73 FBP1 (0.45) FBP1PDK1ALDH1A1TSHRNOS1
SCHEMBL8033947 0.72 F2 (0.45) FBP1PDK1ALDH1A1TSHRMAPK1
SCHEMBL8031756 0.71 FBP1 (0.44) FBP1PDK1MAPK8MAPK9ALDH1A1

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