SCHEMBL8080302

SCHEMBL8080302

C[Si](C)(C)C#CS(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTR6 P50406 1/20 0.42
PSIP1 O75475 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
PLA2G7 Q13093 1/20 0.39
CA9 Q16790 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL4388431 1.00 ALDH1A1 (0.44) ALDH1A1HSD17B10TDP1HTR6PSIP1
SCHEMBL2499107 0.81 GAA (0.48) ALDH1A1HSD17B10TDP1SMN1; SMN2CA1
SCHEMBL6096070 0.77 HTR6 (0.46) ALDH1A1HSD17B10TDP1HTR6PSIP1
SCHEMBL6549005 0.76 PKM (0.53) ALDH1A1CA1CA2CA12CA7
SCHEMBL6548699 0.73 HTR6 (0.46) ALDH1A1HSD17B10TDP1HTR6PSIP1
SCHEMBL1482095 0.73 HTR6 (0.46) ALDH1A1HSD17B10TDP1HTR6PSIP1
SCHEMBL16936404 0.72 CA1 (0.44) ALDH1A1HSD17B10CA1CA2TSHR
SCHEMBL15873589 0.72 HTR6 (0.50) ALDH1A1HSD17B10TDP1HTR6PSIP1
SCHEMBL7948200 0.71 NPC1 (0.59) ALDH1A1HSD17B10TDP1HTR6PSIP1
Anisole SCHEMBL7455194 0.71 CA4 (0.50) ALDH1A1SMN1; SMN2CA4NPC1RAB9A

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-0743574-B1 Migration imaging members XEROX CORP (US) 2000-12-27 EP claimed
EP-0743573-B1 Method for obtaining image contrast migration imaging members XEROX CORP (US) 2000-09-06 EP claimed