SCHEMBL1670503

SCHEMBL1670503

Cc1coc(C)c1-c1c(-c2ccc(O)cc2)c(Br)n(C)c1C#N

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.39
SENP1 Q9P0U3 1/20 0.33
GRIA4 P48058 1/20 0.33
GAA P10253 2/20 0.30
MMP3 P08254 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MGAM O43451 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 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
SCHEMBL12801018 0.81 SENP1 (0.33) ARSENP1GAAMGAMSI
SCHEMBL1670817 0.80 MLYCD (0.40) AR
SCHEMBL1670408 0.76
SCHEMBL1670563 0.76 GRIA4 (0.39) ARSENP1GRIA4KDM4EALDH1A1
SCHEMBL1670405 0.75 KDM1A (0.30)
SCHEMBL1670403 0.75 KDM1A (0.30)
SCHEMBL12988330 0.74 ALOX5 (0.41) GAAKDM4EALDH1A1LMNAHPGD
SCHEMBL1670860 0.73 AR (0.46) ARSENP1GRIA4GAAMMP3
SCHEMBL1670768 0.68
SCHEMBL1670766 0.65

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