SCHEMBL13625265

SCHEMBL13625265

BCC(=O)NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.44
CA1 P00915 3/20 0.41
CA12 O43570 3/20 0.41
CA7 P43166 2/20 0.41
CA14 Q9ULX7 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
CA2 P00918 3/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
DGAT1 O75907 1/20 0.35
CTSK P43235 3/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPK1 P28482 1/20 0.34
CA9 Q16790 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
SCHEMBL240769 0.80 CA1 (0.42) APLNRCA1CA12CA7CA14
SCHEMBL22018439 0.78 TDP1 (0.44) APLNRCA1CA12CA7CA14
SCHEMBL20578018 0.78 MEN1 (0.42) APLNRCA1CA12CA7CA14
SCHEMBL3755847 0.78 APLNR (0.41) APLNRCA1CA12CA7CA14
SCHEMBL247123 0.78 TDP1 (0.44) APLNRCA1CA12CA7CA14
SCHEMBL101218 0.78 DGAT1 (0.46) APLNRCA1CA12CA7CA14
SCHEMBL12955176 0.78 TDP1 (0.53) CA1CA12CA7CA14TDP1
SCHEMBL20288786 0.77 CA1 (0.43) APLNRCA1CA12CA7CA14
SCHEMBL20439031 0.77 CA12 (0.47) APLNRCA1CA12CA7CA14
SCHEMBL1926406 0.77 CA2 (0.40) APLNRCA1CA12CA7CA14

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-2009137739-A1 PROCESSES FOR THE PREPARATION OF O-[5-[4-AMINO-THIAZOL-2-YL]-PYRIDIN-2-YLMETHYL]-HYDROXYLAMINE ENANTA PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed