SCHEMBL5502231

SCHEMBL5502231

CSc1ccc(Oc2ccc(C#N)c(Cl)c2)c(C)c1.Cc1ccc(-c2ccc(Oc3ccc(C#N)c(Cl)c3)c(C)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.55
SLC22A12 Q96S37 6/20 0.43
SLC6A4 P31645 1/20 0.38
PLA2G7 Q13093 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
PGR P06401 1/20 0.37
ESRRA P11474 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
SCHEMBL4188231 0.91 AR (0.65) ARSLC22A12PLA2G7KDM4EMEN1
SCHEMBL4178134 0.91 AR (0.65) ARSLC22A12PGRESRRA
SCHEMBL4163780 0.81 AR (0.72) ARSLC22A12SLC6A4PGRESRRA
SCHEMBL4181443 0.74 AR (0.72) ARSLC22A12SLC6A4KDM4EMEN1
SCHEMBL4168834 0.73 AR (0.72) ARSLC22A12SLC6A4PGRESRRA
SCHEMBL17052853 0.72 AR (0.65) ARSLC22A12SLC6A4PLA2G7PGR
SCHEMBL923687 0.72 AR (0.49) ARSLC6A4
SCHEMBL4175953 0.72 AR (1.00) ARSLC22A12PGR
SCHEMBL4181860 0.71 AR (0.67) ARSLC22A12PGRESRRA
SCHEMBL4171619 0.71 AR (0.67) ARSLC22A12MEN1ALDH1A1HPGD

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