SCHEMBL1722408

SCHEMBL1722408

CC(=O)Oc1nn(-c2ccc(F)cc2Cl)c(O)c1C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 1/20 0.37
HDAC9 Q9UKV0 1/20 0.36
P2RX7 Q99572 3/20 0.36
CNR1 P21554 4/20 0.36
LMNA P02545 2/20 0.36
NR3C2 P08235 1/20 0.35
RIPK1 Q13546 1/20 0.35
CNR2 P34972 2/20 0.34
NOX4 Q9NPH5 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL1460410 0.82 PDE4B (0.44) RIPK1
SCHEMBL2845682 0.81 GRM5 (0.34) MARS1P2RX7CNR1LMNANR3C2
SCHEMBL3250915 0.79 MARS1 (0.39) MARS1P2RX7CNR1LMNANR3C2
SCHEMBL27967501 0.73 MAPK14 (0.43) LMNA
SCHEMBL1460386 0.67 PDE4B (0.44) P2RX7CNR1RIPK1
SCHEMBL3728350 0.66 KDM4E (0.44) L3MBTL1
SCHEMBL2849167 0.65 GRM5 (0.35) MARS1P2RX7CNR1LMNA
SCHEMBL1722410 0.65 P2RX7 (0.39) MARS1P2RX7CNR1NR3C2L3MBTL1
SCHEMBL20550778 0.65 LMNA (0.57) MARS1P2RX7LMNANR3C2
SCHEMBL1303201 0.65 MARS1 (0.43) MARS1P2RX7CNR1LMNANR3C2

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-2344492-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GenKyoTex SA (CH) 2011-07-20 EP disclosed