SCHEMBL27543770

SCHEMBL27543770

Nn1c(=O)cc(C(F)(F)F)c2ccc(C3CCCC3)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
AR P10275 10/20 0.37
PGR P06401 2/20 0.37
NR3C1 P04150 1/20 0.36
NR3C2 P08235 1/20 0.36
MAT2A P31153 1/20 0.35
HTR2A P28223 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
SRC P12931 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL27543731 0.99 PRMT5 (0.37) PRMT5WDR77ARPGRNR3C1
SCHEMBL27543821 0.97 AR (0.36) PRMT5WDR77ARPGRNR3C1
SCHEMBL27543771 0.89 AR (0.39) PRMT5WDR77ARPGRNR3C1
SCHEMBL27518210 0.78 PRMT5 (0.36) PRMT5WDR77MAT2AATMHDAC4
SCHEMBL27544731 0.75 MAT2A (0.33) PRMT5WDR77MAT2A
SCHEMBL28742973 0.74 ALDH1A1 (0.39) ARMAT2AALDH1A1KDM4EMEN1
SCHEMBL27518959 0.71 ALDH1A1 (0.42) ARALDH1A1KDM4EMEN1GAA
SCHEMBL25058965 0.71 MAT2A (0.40) PRMT5WDR77MAT2AALDH1A1MEN1
SCHEMBL1772037 0.68 AR (0.62) ARPGRNR3C1NR3C2
SCHEMBL27518965 0.68 ALDH1A1 (0.34) ARMAT2AALDH1A1KDM4EMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1382124-A Bicyclic androgen and progesterone receptor modulating compounds and methods LIGAND PHARM INC (US) 2002-11-27 CN claimed
CN-100384823-C Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARM INC (US) 2008-04-30 CN disclosed
CN-101029042-A Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARM INC (US) 2007-09-05 CN disclosed
CN-1262540-C Bicyclic androgen and progesterone receptor modulating compounds and methods LIGAND PHARM INC (US) 2006-07-05 CN disclosed
CN-1775759-A Bicyclic androgen and progesterone receptor modulator compounds and methods LIGAND PHARM INC (US) 2006-05-24 CN disclosed
CN-1382124-A Bicyclic androgen and progesterone receptor modulating compounds and methods LIGAND PHARM INC (US) 2002-11-27 CN disclosed