SCHEMBL17295334

SCHEMBL17295334

CC(=O)c1c(-c2ccccc2)nn(C)c1O.CC(=O)c1c(-c2ccccc2)nn(C)c1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.64
FGFR1 P11362 1/20 0.64
FLT1 P17948 1/20 0.64
KDR P35968 1/20 0.64
CSNK1A1 P48729 1/20 0.64
CDK8 P49336 1/20 0.64
GSK3A P49840 1/20 0.64
GSK3B P49841 1/20 0.64
CDK5 Q00535 1/20 0.64
PRKCQ Q04759 1/20 0.64
LRRK2 Q5S007 1/20 0.64
CLK4 Q9HAZ1 1/20 0.64
DYRK1B Q9Y463 1/20 0.64
POLB P06746 1/20 0.54
ADRA1A P35348 2/20 0.47
ADRA1B P35368 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TP53 P04637 2/20 0.47

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
SCHEMBL17290901 1.00 CSF1R (0.64) CSF1RFGFR1FLT1KDRCSNK1A1
SCHEMBL8888266 0.85 CSF1R (0.66) CSF1RFGFR1FLT1KDRCSNK1A1
SCHEMBL1574797 0.82 CYP1A2 (0.63) CSF1RFGFR1FLT1KDRCSNK1A1
SCHEMBL15656069 0.82 KDR (0.71) CSF1RFGFR1FLT1KDRCSNK1A1
SCHEMBL17290973 0.81 POLB (0.46) CSF1RFGFR1FLT1KDRCSNK1A1
SCHEMBL17295125 0.80 SCN9A (0.44) CSF1RFGFR1FLT1KDRCSNK1A1
SCHEMBL17290240 0.80 SCN9A (0.44) CSF1RFGFR1FLT1KDRCSNK1A1
SCHEMBL4707932 0.78 CDK8 (1.00) CSF1RFGFR1FLT1KDRCSNK1A1
SCHEMBL17290254 0.77 CSF1R (0.44) CSF1RFGFR1FLT1KDRCSNK1A1
SCHEMBL17290253 0.77 CSF1R (0.44) CSF1RFGFR1FLT1KDRCSNK1A1

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-3148972-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS Cardioxyl Pharmaceuticals Inc. (US) 2017-04-05 EP disclosed
WO-2015183839-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS CARDIOXYL PHARMACEUTICALS, INC. (US) 2015-12-03 WO disclosed