SCHEMBL5503972

SCHEMBL5503972

CCOc1cc(C)ccc1Oc1ccc(C#N)cc1Cl.COc1cc(F)ccc1Oc1ccc(C#N)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.50
SLC22A12 Q96S37 3/20 0.46
SLC6A4 P31645 2/20 0.44
ESRRA P11474 1/20 0.44
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
NR3C2 P08235 1/20 0.43
MAPT P10636 4/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
RAB9A P51151 3/20 0.42
HPGD P15428 3/20 0.42
NPC1 O15118 2/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL4170196 0.89 AR (0.58) ARSLC22A12SLC6A4ESRRAMAPT
SCHEMBL4175734 0.87 AR (0.59) ARSLC22A12SLC6A4ESRRANR3C1
SCHEMBL4179847 0.80 AR (0.68) ARSLC6A4ESRRAMAPTL3MBTL1
SCHEMBL4184976 0.80 AR (0.62) ARSLC6A4ESRRAMAPTL3MBTL1
SCHEMBL4183157 0.76 AR (0.73) ARSLC22A12SLC6A4ESRRAMAPT
SCHEMBL435768 0.75 TRPV4 (0.56) ARSLC6A4MAPTL3MBTL1RAB9A
SCHEMBL5498082 0.75 AR (0.64) ARSLC6A4ESRRAMAPTL3MBTL1
SCHEMBL16640622 0.75 AR (0.54) ARSLC22A12SLC6A4ESRRASCN8A
SCHEMBL4181543 0.73 AR (0.73) ARSLC6A4ESRRAALDH1A1SLC6A3
SCHEMBL4188134 0.73 AR (0.73) ARSLC22A12SLC6A4ESRRAALDH1A1

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