SCHEMBL5771022

SCHEMBL5771022

CCC(C)c1c(O)nc2c(OC(=O)OC)cnn2c1O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
GBA1 P04062 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL4509989 0.82 KDM4E (0.44) MEN1GBA1KMT2AMAPTALDH1A1
SCHEMBL5771717 0.80 MEN1 (0.33) MEN1GBA1KMT2A
SCHEMBL5774361 0.73 CDK4 (0.32) KMT2AALDH1A1
SCHEMBL4872259 0.73 CDK2 (0.44) KMT2AALDH1A1
SCHEMBL4017611 0.70 KDM4E (0.35) MAPTALDH1A1LMNA
SCHEMBL5283300 0.69 CRHR1 (0.37) MAPT
SCHEMBL4017079 0.69 CRHR1 (0.35) ALDH1A1
SCHEMBL10528347 0.66 KDM4E (0.47) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL4875190 0.65 CCNT1 (0.38) MAPTALDH1A1LMNA
SCHEMBL14338820 0.65 ALDH1A1 (0.36) MEN1KMT2AMAPTALDH1A1LMNA

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