SCHEMBL27543740

SCHEMBL27543740

CCC(C)(CC)c1ccc2c(C(F)(F)F)cc(=O)n(N)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 14/20 0.36
ALDH1A1 P00352 2/20 0.34
KIF11 P52732 2/20 0.33
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
SRC P12931 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TLR9 Q9NR96 1/20 0.31
MAT2A P31153 1/20 0.31
PGR P06401 2/20 0.31
RORA P35398 1/20 0.31
RORC P51449 1/20 0.31
RORB Q92753 1/20 0.31

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
SCHEMBL27518965 0.84 ALDH1A1 (0.34) ARALDH1A1KIF11KDM4EMEN1
SCHEMBL27544750 0.80 MAP2K1 (0.32) ARALDH1A1KIF11MAT2A
SCHEMBL27544757 0.75 AR (0.38) ARALDH1A1RORARORCRORB
SCHEMBL27536679 0.74 HTR1D (0.38) ARALDH1A1KIF11PGRRORA
SCHEMBL28742973 0.74 ALDH1A1 (0.39) ARALDH1A1KDM4EMEN1GAA
SCHEMBL27543777 0.73 AR (0.36) ARALDH1A1MEN1KMT2A
SCHEMBL27518959 0.71 ALDH1A1 (0.42) ARALDH1A1KIF11KDM4EMEN1
SCHEMBL28742895 0.69 AR (0.34) ARALDH1A1PGR
SCHEMBL3543560 0.69 AR (0.43) ARALDH1A1PGR
SCHEMBL27518208 0.68 KDM4E (0.39) ARALDH1A1KIF11KDM4EMEN1

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