SCHEMBL27543771

SCHEMBL27543771

Nn1c(=O)cc(C(F)(F)F)c2cc(C3CCCC3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.39
PGR P06401 2/20 0.39
NR3C1 P04150 1/20 0.39
NR3C2 P08235 1/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
HTR2A P28223 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 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
SCHEMBL27543770 0.89 PRMT5 (0.38) ARPGRNR3C1NR3C2PRMT5
SCHEMBL27543731 0.88 PRMT5 (0.37) ARPGRNR3C1NR3C2PRMT5
SCHEMBL27543821 0.86 AR (0.36) ARPGRNR3C1NR3C2PRMT5
SCHEMBL25058964 0.76 KMT2A (0.47) PRMT5WDR77MEN1KMT2ATDP1
SCHEMBL27518208 0.74 KDM4E (0.39) ARPGRMEN1KMT2AALDH1A1
SCHEMBL27536679 0.71 HTR1D (0.38) ARPGRALDH1A1
SCHEMBL27518959 0.71 ALDH1A1 (0.42) ARMEN1KMT2ATDP1LMNA
SCHEMBL1772037 0.70 AR (0.62) ARPGRNR3C1NR3C2
SCHEMBL27518210 0.70 PRMT5 (0.36) PRMT5WDR77HDAC4HDAC2HDAC8
SCHEMBL27543726 0.69 AGER (0.36) ARMEN1KMT2ANPSR1ALDH1A1

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