SCHEMBL27543726

SCHEMBL27543726

C=CCc1ccc2c(c1)c(C(F)(F)F)cc(=O)n2N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGER Q15109 1/20 0.36
XDH P47989 1/20 0.35
ALDH1A1 P00352 4/20 0.34
PPARG P37231 2/20 0.34
PPARD Q03181 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH2 P05091 1/20 0.34
GAA P10253 1/20 0.34
GABRA1 P14867 1/20 0.34
AKR1B1 P15121 1/20 0.34
HPGD P15428 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
GABRB2 P47870 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PPARA Q07869 1/20 0.33
CYP3A4 P08684 2/20 0.32

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
SCHEMBL27518208 0.75 KDM4E (0.39) ALDH1A1KDM4EMEN1GAAKMT2A
SCHEMBL27536679 0.72 HTR1D (0.38) ALDH1A1AR
SCHEMBL27518959 0.72 ALDH1A1 (0.42) ALDH1A1KDM4EMEN1GAAHPGD
SCHEMBL10629316 0.69 XDH (0.43) XDHALDH1A1PPARGPPARDMAPT
SCHEMBL27543777 0.69 AR (0.36) ALDH1A1MAPTMEN1GABRA1GABRB2
SCHEMBL27543771 0.69 AR (0.39) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL28742895 0.68 AR (0.34) ALDH1A1AR
SCHEMBL27536682 0.68 SMN1; SMN2 (0.45) ALDH1A1MAPTKDM4EMEN1HPGD
SCHEMBL27544757 0.68 AR (0.38) ALDH1A1AR
SCHEMBL13284215 0.67 XDH (0.44) XDHALDH1A1PPARGPPARDMAPT

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