SCHEMBL6473337

SCHEMBL6473337

COC(=O)c1ccc(-c2c(O)cc(C)[nH]c2=O)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
PARP1 P09874 2/20 0.43
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40

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
SCHEMBL6475260 0.87 CA12 (0.49) XDHCA12CA1CA2CA7
SCHEMBL6471350 0.85 CA12 (0.47) XDHCA12CA1CA2CA7
SCHEMBL4977924 0.85 CA12 (0.49) XDHCA12CA1CA2CA7
SCHEMBL6471904 0.82 CA12 (0.47) XDHCA12CA1CA2CA7
SCHEMBL6473741 0.82 CA12 (0.47) XDHCA12CA1CA2CA7
SCHEMBL6472993 0.80 CA12 (0.49) XDHCA12CA1CA2CA7
SCHEMBL6471298 0.77 ERN1 (0.49) XDHCA12CA1CA2CA7
SCHEMBL6472603 0.77 KDM4E (0.40) XDHCA12CA1CA2CA7
SCHEMBL6471654 0.76 CNR2 (0.55) XDHCA12CA1CA2CA7
SCHEMBL6471366 0.75 KDM4E (0.38) XDHCA12CA1CA2CA7

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-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed