SCHEMBL27543731

SCHEMBL27543731

Nn1c(=O)cc(C(F)(F)F)c2ccc(C3CCCCC3)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
AR P10275 6/20 0.37
PGR P06401 2/20 0.36
NR3C1 P04150 1/20 0.36
NR3C2 P08235 1/20 0.36
EPHX2 P34913 1/20 0.35
PDK2 Q15119 1/20 0.34
MAT2A P31153 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
ACMSD Q8TDX5 1/20 0.34
HTR2A P28223 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HSP90AA1 P07900 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BACE1 P56817 1/20 0.33

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
SCHEMBL27543770 0.99 PRMT5 (0.38) PRMT5WDR77ARPGRNR3C1
SCHEMBL27543821 0.96 AR (0.36) PRMT5WDR77ARPGRNR3C1
SCHEMBL27543771 0.88 AR (0.39) PRMT5WDR77ARPGRNR3C1
SCHEMBL27518210 0.77 PRMT5 (0.36) PRMT5WDR77EPHX2PDK2MAT2A
SCHEMBL27544731 0.74 MAT2A (0.33) PRMT5WDR77MAT2A
SCHEMBL27518959 0.70 ALDH1A1 (0.42) ARLMNAHTTALDH1A1GAA
SCHEMBL25058965 0.70 MAT2A (0.40) PRMT5WDR77PDK2MAT2ALMNA
SCHEMBL1772037 0.69 AR (0.62) ARPGRNR3C1NR3C2
SCHEMBL25058964 0.69 KMT2A (0.47) PRMT5WDR77EPHX2LMNAHTT
SCHEMBL27543740 0.67 AR (0.36) ARPGRMAT2AALDH1A1GAA

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