SCHEMBL5498698

SCHEMBL5498698

COc1cccc(F)c1Oc1ccc(C#N)cc1Cl.N#Cc1ccc(Oc2ccccc2C(F)(F)F)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.53
PGR P06401 2/20 0.41
NR3C1 P04150 1/20 0.41
NR3C2 P08235 1/20 0.41
SLC22A12 Q96S37 5/20 0.39
ESRRA P11474 2/20 0.39
ESRRB O95718 1/20 0.39
ESR1 P03372 1/20 0.39
ESRRG P62508 1/20 0.39
ESR2 Q92731 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
STK39 Q9UEW8 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL4168094 0.89 AR (0.56) ARPGRNR3C1NR3C2SLC22A12
SCHEMBL5502088 0.86 AR (0.59) ARPGRNR3C1NR3C2SLC22A12
SCHEMBL4179470 0.85 AR (0.63) ARPGRNR3C1NR3C2SLC22A12
SCHEMBL4182930 0.80 AR (0.62) ARESRRAMRGPRX4SLC6A4SLC6A3
SCHEMBL4188051 0.79 AR (0.56) ARSLC22A12ESRRAMRGPRX4SLC6A4
SCHEMBL4183157 0.77 AR (0.73) ARSLC22A12ESRRAMRGPRX4SLC6A4
SCHEMBL4183156 0.77 AR (0.68) ARSLC22A12ESRRAMRGPRX4SLC6A4
SCHEMBL23409847 0.75 MRGPRX4 (0.47) ARSLC22A12ESRRAESRRBESR1
SCHEMBL29788295 0.75 MRGPRX4 (0.47) ARSLC22A12ESRRAESRRBESR1
SCHEMBL4175734 0.73 AR (0.59) ARPGRNR3C1NR3C2SLC22A12

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
EP-1781280-A2 ANDROGEN MODULATORS Warner-Lambert Company LLC (US) 2007-05-09 EP disclosed
WO-2006018723-A2 ANDROGEN MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2006-02-23 WO disclosed