SCHEMBL8724253

SCHEMBL8724253

CCOC(=O)c1cccc(Br)c1CBr

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 3/20 0.50
PLK1 P53350 1/20 0.47
CDC25B P30305 3/20 0.47
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
CA14 Q9ULX7 3/20 0.46
CYP1A2 P05177 2/20 0.45
KDM4E B2RXH2 3/20 0.44
RXFP1 Q9HBX9 2/20 0.44
F2R P25116 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CLEC4M Q9H2X3 1/20 0.43
CDC25A P30304 1/20 0.43

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
SCHEMBL30772831 1.00 TSHR (0.58) TSHRALDH1A1HSD17B10PLK1CDC25B
SCHEMBL6354255 0.85 TSHR (0.59) TSHRALDH1A1HSD17B10PLK1CDC25B
SCHEMBL6355411 0.85 TSHR (0.51) TSHRALDH1A1HSD17B10CDC25BCYP4F2
SCHEMBL30041782 0.83 LMNA (0.46) TSHRALDH1A1HSD17B10CA12CA1
SCHEMBL436238 0.83 LMNA (0.46) TSHRALDH1A1HSD17B10CA12CA1
SCHEMBL9412825 0.83 TSHR (0.53) TSHRALDH1A1HSD17B10CDC25BCA12
SCHEMBL2601357 0.83 CYP4F2 (0.56) TSHRALDH1A1HSD17B10PLK1CDC25B
SCHEMBL5250458 0.83 TSHR (0.56) TSHRALDH1A1HSD17B10PLK1CDC25B
SCHEMBL9541307 0.83 TSHR (0.56) TSHRALDH1A1HSD17B10PLK1CDC25B
SCHEMBL265052 0.81 TSHR (0.63) TSHRALDH1A1HSD17B10CDC25BCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1082790-C Herbicides RHONE POULENE AGRICULTURE LTD (GB) 2002-04-17 CN disclosed
EP-0625505-B1 2-Cyano-1,3-dione derivatives and their use as herbicides RHONE POULENC AGRICULTURE (GB) 1998-10-28 EP disclosed
CN-1100261-A Herbicides RHONE POULENC AGRICULTURE (GB) 1995-03-22 CN disclosed
EP-0625505-A2 2-Cyano-1,3-dione derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-11-23 EP disclosed