SCHEMBL7753799

SCHEMBL7753799

CCS(=O)(=O)Nc1cc(NN)c(F)cc1C#N

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGR P06401 8/20 0.45
PSIP1 O75475 1/20 0.43
AR P10275 1/20 0.39
BRD4 O60885 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
S100A9 P06702 1/20 0.34
KIF11 P52732 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ACLY P53396 2/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32

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
SCHEMBL6573122 0.86 PGR (0.50) PGRPSIP1ARBRD4SLC22A12
SCHEMBL6577272 0.84 PSIP1 (0.44) PGRPSIP1ARBRD4SLC22A12
SCHEMBL6662088 0.78 NLRP3 (0.44) PGRPSIP1ARBRD4HPGD
SCHEMBL8054362 0.76 PGR (0.39) PGRPSIP1ARBRD4SLC22A12
SCHEMBL7688191 0.76 PGR (0.40) PGRPSIP1ARBRD4SLC22A12
SCHEMBL4035205 0.75 PSIP1 (0.46) PGRPSIP1ARBRD4SLC22A12
SCHEMBL7501564 0.74 PGR (0.35) PGRPSIP1ARBRD4CA1
SCHEMBL7753456 0.74 PGR (0.37) PGRPSIP1ARBRD4SLC22A12
SCHEMBL5842931 0.72 PGR (0.43) PGRPSIP1ARBRD4SLC22A12
SCHEMBL3628472 0.72 TRPV4 (0.50) CA1CA2CA9ACLY

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-1070055-A1 SUBSTITUTED PHENYL PYRIDAZINONES Bayer Aktiengesellschaft (DE) 2001-01-24 EP disclosed
WO-1999052878-A1 SUBSTITUTED PHENYL PYRIDAZINONES BAYER AKTIENGESELLSCHAFT (DE) 1999-10-21 WO disclosed