SCHEMBL1723076

SCHEMBL1723076

COCC(=O)C1=C(O)N(c2ccc(F)cc2Cl)N(C)C1OC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.37
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 2/20 0.33
P2RX7 Q99572 6/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
GAA P10253 1/20 0.31
CASP6 P55212 1/20 0.31
NOX4 Q9NPH5 2/20 0.31
IL1B P01584 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL1723018 0.71 NPSR1 (0.35) GRM5P2RX7NPSR1
SCHEMBL2845682 0.67 GRM5 (0.34) GRM5MEN1KMT2ALMNAP2RX7
SCHEMBL2849167 0.62 GRM5 (0.35) GRM5MEN1KMT2ALMNAP2RX7
SCHEMBL1723074 0.62 P2RX7 (0.36) GRM5LMNAP2RX7L3MBTL1GAA
SCHEMBL1303913 0.61 CHRM1 (0.35) GRM5MEN1KMT2ALMNAP2RX7
SCHEMBL3250915 0.58 MARS1 (0.39) GRM5LMNAP2RX7L3MBTL1ALDH1A1
SCHEMBL3728350 0.58 KDM4E (0.44) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL20855539 0.58 KMT2A (0.48) MEN1KMT2ALMNAL3MBTL1NPC1
SCHEMBL165819 0.58 NPC1 (0.57) MEN1KMT2ALMNAL3MBTL1NPC1
SCHEMBL31711605 0.57 CES2 (0.55) KMT2AL3MBTL1NPC1RAB9AGAA

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-2344492-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GenKyoTex SA (CH) 2011-07-20 EP disclosed
WO-2010035221-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2010-04-01 WO disclosed