SCHEMBL10159622

SCHEMBL10159622

COC(=O)C1=CC(=S)CC=C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
HSD17B10 Q99714 2/20 0.34
LMNA P02545 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
XBP1 P17861 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA12 O43570 4/20 0.31
CA1 P00915 4/20 0.31
CA2 P00918 4/20 0.31
CA7 P43166 4/20 0.31
CA9 Q16790 4/20 0.31
CA14 Q9ULX7 4/20 0.31
PDK2 Q15119 1/20 0.31
PDK4 Q16654 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL4377359 0.79 LMNA (0.33) TSHRHSD17B10LMNAALDH1A1CA12
SCHEMBL7444060 0.78
SCHEMBL1184526 0.76
SCHEMBL9335201 0.75 LMNA (0.31) TSHRLMNAALDH1A1
SCHEMBL11390992 0.75
SCHEMBL8890220 0.74 SETD7 (0.30) TSHRLMNAALDH1A1
SCHEMBL6900157 0.74
SCHEMBL7143344 0.73 TDP1 (0.31) TDP1
SCHEMBL8417905 0.72 TSHR (0.35) TSHRMAPTKMT2AHSD17B10LMNA
SCHEMBL7493840 0.72

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
WO-2012042265-A1 NOVEL ACRIDINE DERIVATIVES PHARMINOX LIMITED (GB) 2012-04-05 WO disclosed