SCHEMBL3947635

SCHEMBL3947635

N#Cc1c(N)sc2c1CCC(O)C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 3/20 0.56
ALDH1A1 P00352 12/20 0.54
MAPT P10636 10/20 0.54
GAA P10253 8/20 0.54
HSD17B10 Q99714 6/20 0.54
ALOX15 P16050 3/20 0.54
MAPK1 P28482 2/20 0.54
KDM4E B2RXH2 8/20 0.44
MEN1 O00255 7/20 0.44
KMT2A Q03164 7/20 0.44
HPGD P15428 5/20 0.44
CASP1 P29466 3/20 0.44
CASP7 P55210 2/20 0.44
PTK2B Q14289 1/20 0.44
ESR2 Q92731 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 2/20 0.41
PABPC1 P11940 1/20 0.41
RECQL P46063 2/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL1719562 0.81 ALDH1A1 (0.57) BPTFALDH1A1MAPTGAAHSD17B10
SCHEMBL3947985 0.80 BPTF (0.51) BPTFALDH1A1MAPTGAAHSD17B10
SCHEMBL12882448 0.78 BPTF (0.49) BPTFALDH1A1MAPTGAAHSD17B10
SCHEMBL20254477 0.77 PTPN5 (0.53) BPTFALDH1A1MAPTGAAHSD17B10
SCHEMBL1719679 0.77 ALDH1A1 (0.57) BPTFALDH1A1MAPTGAAHSD17B10
SCHEMBL1207493 0.76 ALDH1A1 (0.49) BPTFALDH1A1MAPTGAAHSD17B10
SCHEMBL24862470 0.75 BPTF (0.62) BPTFALDH1A1MAPTGAAHSD17B10
SCHEMBL1208527 0.75 BPTF (0.50) BPTFALDH1A1MAPTGAAHSD17B10
SCHEMBL20254478 0.74 MAPT (0.49) BPTFALDH1A1MAPTGAAHSD17B10
SCHEMBL2648374 0.73 ALDH1A1 (0.60) BPTFALDH1A1MAPTGAAHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2051974-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES 4SC AG (DE) 2009-04-29 EP disclosed
WO-2008020045-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES 4SC AG (DE) 2008-02-21 WO disclosed