SCHEMBL5137733

SCHEMBL5137733

COc1nc(C(=O)CF)c(NC(=O)O)cc1F

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 2/20 0.32
STING1 Q86WV6 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
KMT2A Q03164 2/20 0.31
P2RX7 Q99572 2/20 0.31
MEN1 O00255 1/20 0.31
PIK3CA P42336 1/20 0.31
HDAC1 Q13547 1/20 0.31
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
TP53 P04637 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL4659869 0.84 CYP17A1 (0.38) CFTR
SCHEMBL2768751 0.72 CFTR (0.33) CFTR
SCHEMBL14783863 0.68 CFTR (0.50) CFTRTSHRMAPTKMT2AMEN1
SCHEMBL6430612 0.65 LCK (0.45) TSHRLMNAMAPTSMN1; SMN2KMT2A
SCHEMBL16164495 0.65 PIK3CA (0.44) KMT2AMEN1PIK3CAKCNQ3KCNQ2
SCHEMBL16703963 0.65 POLQ (0.42) LMNAMAPTKMT2AMEN1PIK3CA
SCHEMBL22831934 0.64 MEN1 (0.41) TSHRLMNAMAPTSMN1; SMN2KMT2A
SCHEMBL14472219 0.64 SMN1; SMN2 (0.45) MAPTSMN1; SMN2ALDH1A1
SCHEMBL6117196 0.64 HTT (0.45) TSHRLMNAMAPTSMN1; SMN2KMT2A
SCHEMBL8699897 0.64 GAA (0.41) TSHRMAPTSMN1; SMN2KMT2AMEN1

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-1963324-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2008-09-03 EP disclosed
WO-2007071936-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2007-06-28 WO disclosed