SCHEMBL5771717

SCHEMBL5771717

CCC(C)c1c(Cl)nc2c(OC(=O)OC)cnn2c1Cl

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
GBA1 P04062 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4517968 0.82 HTR2C (0.43) MEN1GBA1KMT2A
SCHEMBL5771022 0.80 MEN1 (0.33) MEN1GBA1KMT2A
SCHEMBL4866520 0.74 CSNK2B (0.33)
SCHEMBL5775062 0.74 HTR2C (0.35) KMT2A
SCHEMBL4875792 0.72 CDK2 (0.50) KMT2A
SCHEMBL3258832 0.71 CRHR1 (0.35) KMT2A
SCHEMBL3257816 0.71 KDM4E (0.36) MEN1KMT2A
SCHEMBL5291917 0.71 CNR1 (0.37)
SCHEMBL13606366 0.68 HTR2C (0.39) MEN1GBA1KMT2A
SCHEMBL4511720 0.68 HTR2C (0.39) MEN1GBA1KMT2A

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