SCHEMBL28742973

SCHEMBL28742973

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
KDM4E B2RXH2 3/20 0.36
AR P10275 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
SRC P12931 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
ATM Q13315 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TLR9 Q9NR96 1/20 0.36
MAPT P10636 2/20 0.35
MAT2A P31153 3/20 0.35
RAB9A P51151 2/20 0.35

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
SCHEMBL27518959 0.78 ALDH1A1 (0.42) ALDH1A1KDM4EARKMT2ANPSR1
SCHEMBL27543740 0.74 AR (0.36) ALDH1A1KDM4EARKMT2ANPSR1
SCHEMBL27543821 0.74 AR (0.36) ALDH1A1KDM4EARKMT2ANPSR1
SCHEMBL27543770 0.74 PRMT5 (0.38) ALDH1A1KDM4EARKMT2ANPSR1
SCHEMBL27518965 0.74 ALDH1A1 (0.34) ALDH1A1KDM4EARKMT2ANPSR1
SCHEMBL27543777 0.74 AR (0.36) ALDH1A1ARKMT2AMEN1MAPT
SCHEMBL27543731 0.73 PRMT5 (0.37) ALDH1A1ARKMT2AGAAATM
SCHEMBL27544757 0.73 AR (0.38) ALDH1A1ARSMN1; SMN2
SCHEMBL27518208 0.71 KDM4E (0.39) ALDH1A1KDM4EARKMT2AMEN1
SCHEMBL27544750 0.70 MAP2K1 (0.32) ALDH1A1ARMAT2ACA12CA9

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