SCHEMBL20924977

SCHEMBL20924977

COc1ccc(-c2nn(C)c(C=O)c2C)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.43
POLB P06746 4/20 0.41
KDM4E B2RXH2 3/20 0.41
AMY1A P0DUB6 3/20 0.38
GRM2 Q14416 1/20 0.37
PDE2A O00408 2/20 0.37
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
PDGFRB P09619 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGS1 P23219 1/20 0.35

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
SCHEMBL1682483 0.86 ERN1 (0.42) ERN1POLBKDM4EAMY1AGRM2
SCHEMBL9530825 0.70 PTGS1 (0.47) POLBKDM4EAMY1APRKAB2PRKAG1
SCHEMBL9532209 0.69 AMY1A (0.39) ERN1POLBKDM4EAMY1APDE2A
SCHEMBL19214428 0.68 ALDH1A1 (0.55) ERN1GRM2PRKAB2PRKAG1PRKAA2
SCHEMBL1682501 0.68 USP8 (0.37) POLBKDM4EAMY1AGRM2PDE2A
SCHEMBL10340365 0.68 AMY1A (0.50) ERN1AMY1AGRM2PRKAB2PRKAG1
SCHEMBL13874013 0.68 THRB (0.41) ERN1POLBKDM4EAMY1AGRM2
SCHEMBL9530823 0.68 PTGS1 (0.38) POLBKDM4EAMY1APDE2APRKAB2
SCHEMBL8471677 0.68 AMY1A (0.38) POLBKDM4EAMY1APDE2APRKAB2
SCHEMBL2551600 0.67 ALDH1A1 (0.43) ERN1KDM4EPDE2AMAPTALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2486018-B1 SUBSTITUTED PYRAZOLES AS ESTROGEN RECEPTOR LIGANDS KARO PHARMA AB (SE) 2019-04-24 EP disclosed