SCHEMBL13614232

SCHEMBL13614232

CCCNS(=O)(=O)c1cc(C(=O)O)c(C)cc1F

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.56
CA9 Q16790 3/20 0.56
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
LMNA P02545 1/20 0.41
CISD1 Q9NZ45 2/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEP1B Q16820 1/20 0.36
APP P05067 1/20 0.36

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
SCHEMBL3528445 0.89 CA12 (0.58) CA12CA9CISD1ATMALDH1A1
SCHEMBL3528864 0.85 CA12 (0.55) CA12CA9CISD1ATMALDH1A1
SCHEMBL13544519 0.80 CA12 (0.55) CA12CA9CISD1ATMALDH1A1
SCHEMBL13684737 0.79 CA12 (0.47) CA12CA9MAPTTP53LMNA
SCHEMBL13542944 0.78 CA12 (0.49) CA12CA9MAPTALDH1A1L3MBTL1
SCHEMBL2540297 0.77 CA12 (0.47) CA12CA9LMNAATMALDH1A1
SCHEMBL13614188 0.76 L3MBTL1 (0.38) CA12CA9MAPTTP53LMNA
SCHEMBL7764035 0.76 SLC9A1 (0.45) LMNAALDH1A1
SCHEMBL21623170 0.74 CA12 (0.38) CA12CA9LMNACISD1ATM
SCHEMBL13543496 0.73 CA12 (0.54) CA12CA9MAPTTP53LMNA

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
EP-1432700-B1 SPIRO-HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BRISTOL MYERS SQUIBB CO (US) 2009-11-04 EP disclosed