SCHEMBL1671504

SCHEMBL1671504

COc1ccc(-c2cc(C)c(C=O)n2-c2c(C)noc2C)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.36
AMY1A P0DUB6 1/20 0.35
TTR P02766 1/20 0.34
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PRNP P04156 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32

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
SCHEMBL1671741 0.81 ERN1 (0.35) ERN1AMY1ATTRMAPTALDH1A1
SCHEMBL1670927 0.76 AMY1A (0.36) AMY1ATTRPRKAB2PRKAG1PRKAA2
SCHEMBL1670595 0.73 ERN1 (0.38) ERN1AMY1APRKAB2PRKAG1PRKAA2
SCHEMBL1670649 0.73 ESR1 (0.35) TTR
SCHEMBL12800445 0.66 PTGS2 (0.42) MAPTALDH1A1KDM4EPOLBHPGD
SCHEMBL1670917 0.66 TTR (0.38) ERN1TTR
SCHEMBL20547398 0.65 MAPT (0.39) MAPTALDH1A1KDM4EPRNPPOLB
SCHEMBL20924977 0.65 ERN1 (0.43) ERN1AMY1APRKAB2PRKAG1PRKAA2
SCHEMBL1670909 0.65 PTGS2 (0.40) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL1670802 0.64 TTR (0.34) TTR

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