SCHEMBL1671741

SCHEMBL1671741

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.35
TTR P02766 1/20 0.35
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
GRM2 Q14416 1/20 0.33
POLB P06746 2/20 0.32
MAPT P10636 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
ALDH1A1 P00352 3/20 0.32
ALOX15 P16050 2/20 0.32
LMNA P02545 1/20 0.32
AMY1A P0DUB6 1/20 0.31
USP2 O75604 1/20 0.31
CASP1 P29466 1/20 0.31
PTPN7 P35236 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
WRN Q14191 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TUBB4A P04350 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
SCHEMBL1670917 0.86 TTR (0.38) ERN1TTR
SCHEMBL1671504 0.81 ERN1 (0.36) ERN1TTRGRM2POLBMAPT
SCHEMBL12801005 0.76 TTR (0.34) TTR
SCHEMBL1670927 0.69 AMY1A (0.36) TTRPTGS1PTGS2POLBMAPT
SCHEMBL12800447 0.68 PTGS2 (0.41) PTGS2POLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL1682483 0.66 ERN1 (0.42) ERN1PTGS1PTGS2GRM2POLB
SCHEMBL20924977 0.65 ERN1 (0.43) ERN1PTGS1PTGS2GRM2POLB
SCHEMBL20547398 0.63 MAPT (0.39) POLBMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL1670909 0.63 PTGS2 (0.40) PTGS2MAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL18490234 0.60 CHRM2 (0.37) ERN1PTGS2POLBMAPTSMN1; 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 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