SCHEMBL1670927

SCHEMBL1670927

COc1ccc(-c2cc(C)cn2-c2c(C)noc2C)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 2/20 0.36
PDE2A O00408 1/20 0.35
PDE10A Q9Y233 1/20 0.35
FFAR1 O14842 3/20 0.35
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TTR P02766 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.33
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
POLB P06746 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
SCHEMBL1672794 0.81 PTGS2 (0.44) MAPTSMN1; SMN2PTGS2
SCHEMBL1671504 0.76 ERN1 (0.36) AMY1AFFAR1MAPTSMN1; SMN2TTR
SCHEMBL10340365 0.66 AMY1A (0.50) AMY1AMAPTALDH1A1PRKAB2PRKAG1
SCHEMBL12988942 0.66 AMY1A (0.44) AMY1AMAPTSMN1; SMN2ALDH1A1PRKAB2
SCHEMBL1670212 0.63 PTGS2 (0.44) MAPTSMN1; SMN2PTGS2ALDH1A1
SCHEMBL13791166 0.62 CYP2C19 (0.50) AMY1ASMN1; SMN2
SCHEMBL19387237 0.62 AMY1A (0.46) AMY1APTGS1PTGS2ALDH1A1PRKAB2
SCHEMBL15666746 0.62 DRD1 (0.53) AMY1APRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL20547398 0.62 MAPT (0.39) MAPTSMN1; SMN2ALDH1A1POLB
SCHEMBL10014160 0.61 CYP2C19 (0.49) AMY1ASMN1; SMN2

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