SCHEMBL5768985

SCHEMBL5768985

COC(=O)Oc1cnn2c(O)c(-c3ccc(C#N)cc3Cl)c(O)nc12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 7/20 0.41
CYP11B2 P19099 5/20 0.36
CYP11B1 P15538 4/20 0.36
CYP19A1 P11511 1/20 0.36
AR P10275 1/20 0.35
SLC22A12 Q96S37 1/20 0.34
NCEH1 Q6PIU2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MCL1 Q07820 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.33
NR3C1 P04150 1/20 0.33
CTSA P10619 1/20 0.33
MAPT P10636 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
SCHEMBL5283300 0.88 CRHR1 (0.37) MRGPRX4MAPT
SCHEMBL5775424 0.86 EGLN2 (0.41) EGLN2CYP11B2CYP11B1CYP19A1AR
SCHEMBL4505734 0.84 EGLN2 (0.40) EGLN2CYP11B2CYP11B1CYP19A1AR
SCHEMBL5771739 0.81 EGLN2 (0.37) EGLN2CYP11B2CYP11B1CYP19A1AR
SCHEMBL5768799 0.81 EGLN2 (0.37) EGLN2CYP11B2CYP11B1CYP19A1AR
SCHEMBL4017079 0.76 CRHR1 (0.35) MRGPRX4
SCHEMBL5749050 0.74 EGLN2 (0.35) EGLN2CYP11B2CYP11B1CYP19A1SLC22A12
SCHEMBL5774051 0.74 EGLN2 (0.35) EGLN2CYP11B2CYP11B1CYP19A1SLC22A12
SCHEMBL5291917 0.73 CNR1 (0.37) MRGPRX4
SCHEMBL3536164 0.72 DPP4 (0.43) MEN1KMT2AMRGPRX4MAPT

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-1718652-A2 PYRAZOLOPYRIMIDINES FOR COMBATTING UNWANTED MICROORGANISMS Bayer CropScience Aktiengesellschaft (DE) 2006-11-08 EP disclosed
WO-2005082907-A2 PYRAZOLOPYRIMIDINES FOR CONTROLLING UNDESIRED MICROORGANISMS BAYER CROPSCIENCE AG (DE) 2005-09-09 WO disclosed