SCHEMBL1670819

SCHEMBL1670819

C=C(C)Cc1c(C)c(/C=N/O)n(-c2c(C)noc2C)c1-c1ccc(O)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.33
NPY2R P49146 1/20 0.33
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MGLL Q99685 2/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
TTR P02766 1/20 0.31

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
SCHEMBL1670821 1.00 ERN1 (0.33) ERN1NPY2RALDH1A1ALOX15TSHR
SCHEMBL1671187 0.78 ERN1 (0.34) ERN1MGLLESR1ESR2TTR
SCHEMBL1671189 0.78 ERN1 (0.34) ERN1MGLLESR1ESR2TTR
SCHEMBL19472004 0.70 ERN1 (0.38) ERN1NPY2RMAPK1MGLLESR1
SCHEMBL20913284 0.69 ERN1 (0.41) ERN1NPY2RMGLLESR1ESR2
SCHEMBL18529354 0.69 ERN1 (0.41) ERN1NPY2RMGLLESR1ESR2
SCHEMBL1682400 0.69 ERN1 (0.41) ERN1NPY2RMGLLESR1ESR2
SCHEMBL1670517 0.69 KDM1A (0.33) ERN1MGLLESR1ESR2TTR
SCHEMBL1670320 0.69 ESR1 (0.34) ESR1ESR2TTR
SCHEMBL1670615 0.69 ESR1 (0.34) ESR1ESR2TTR

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 claimed