SCHEMBL11829207

SCHEMBL11829207

c1csc(SSc2ccc(SSc3nccs3)cc2)n1

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 15/20 0.81
PDK1 Q15118 1/20 0.77
HTR7 P34969 1/20 0.41
FDPS P14324 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
NOS1 P29475 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL11824652 0.94 FBP1 (0.73) FBP1PDK1HTR7FDPS
SCHEMBL28887867 0.90 FBP1 (1.00) FBP1PDK1HTR7FDPSKMT2A
SCHEMBL28381140 0.90 FBP1 (1.00) FBP1PDK1HTR7SMN1; SMN2
SCHEMBL28382686 0.90 FBP1 (1.00) FBP1PDK1HTR7FDPSMEN1
SCHEMBL28381713 0.90 FBP1 (1.00) FBP1PDK1MEN1KMT2ASMN1; SMN2
SCHEMBL11824284 0.89 FBP1 (0.76) FBP1PDK1HTR7FDPSSMN1; SMN2
SCHEMBL191350 0.88 FBP1 (1.00) FBP1PDK1HTR7FDPSALDH1A1
SCHEMBL11824120 0.86 FBP1 (0.77) FBP1PDK1HTR7FDPSALDH1A1
SCHEMBL28381523 0.86 FBP1 (1.00) FBP1PDK1TSHRSMN1; SMN2
SCHEMBL28381540 0.86 FBP1 (1.00) FBP1PDK1

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-3979369-A DIENE POLYMER MONSANTO COMPANY (US) 1976-09-07 US disclosed