SCHEMBL5175388

SCHEMBL5175388

Cc1cc(SC(=O)S)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.40
GRM2 Q14416 6/20 0.36
GRM3 Q14832 6/20 0.36
SLC9A1 P19634 1/20 0.35
MMP13 P45452 1/20 0.34
POLB P06746 1/20 0.34
CASP6 P55212 1/20 0.34
TERT O14746 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL5175389 0.76 PIM1 (0.35) PIM1GRM2GRM3SLC9A1ALDH1A1
SCHEMBL8772911 0.71 MAPT (0.40) PIM1GRM2GRM3ALDH1A1HSD17B10
SCHEMBL595607 0.69 ALDH1A1 (0.34) PIM1GRM2GRM3ALDH1A1HDAC1
SCHEMBL28728918 0.68 ACHE (0.36) PIM1GRM2GRM3
SCHEMBL15231536 0.67 CES2 (0.42)
SCHEMBL16555709 0.67 LMNA (0.39) PIM1ALDH1A1
SCHEMBL900729 0.67 SMN1; SMN2 (0.49) PIM1ALDH1A1
SCHEMBL13751211 0.67 PIM1 (0.34) PIM1GRM2GRM3SLC9A1ALDH1A1
SCHEMBL4355959 0.66 SMN1; SMN2 (0.53) PIM1POLBALDH1A1HDAC1HDAC6
SCHEMBL9475992 0.65 MAPT (0.37) PIM1GRM2GRM3CASP6ALDH1A1

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
EP-1867636-A1 PYRIDYLMETHYLSULFONE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2007-12-19 EP disclosed