SCHEMBL1670595

SCHEMBL1670595

COc1ccc(-c2cc(C)c(C=O)n2C2=CONC2(C)C)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.38
AMY1A P0DUB6 2/20 0.34
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
HASPIN Q8TF76 1/20 0.33
GRM2 Q14416 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GPR35 Q9HC97 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
SCHEMBL1671504 0.73 ERN1 (0.36) ERN1AMY1APRKAB2PRKAG1PRKAA2
SCHEMBL20924977 0.61 ERN1 (0.43) ERN1AMY1APRKAB2PRKAG1PRKAA2
SCHEMBL19214428 0.60 ALDH1A1 (0.55) ERN1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL10340365 0.60 AMY1A (0.50) ERN1AMY1APRKAB2PRKAG1PRKAA2
SCHEMBL16852397 0.59 AMY1A (0.51) ERN1AMY1APRKAB2PRKAG1PRKAA2
SCHEMBL17508246 0.58 ERN1 (0.57) ERN1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1682483 0.58 ERN1 (0.42) ERN1AMY1AGRM2ALDH1A1
SCHEMBL245504 0.57 ALDH1A1 (0.63) ERN1AMY1AALDH1A1
SCHEMBL1528920 0.56 CD274 (0.48) ERN1AMY1APRKAB2PRKAG1PRKAA2
SCHEMBL8471545 0.56 PDGFRB (0.37) ERN1AMY1AALDH1A1GPR35

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
WO-2011042477-A1 SUBSTITUTED PYRROLES AND IMIDAZOLES AS ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-04-14 WO disclosed