SCHEMBL5498286

SCHEMBL5498286

CS(=O)(=O)Nc1ccc2c(Sc3ccccc3C#N)cn(Cc3cc(F)cc(F)c3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PGR P06401 9/20 0.43
NR3C1 P04150 7/20 0.43
NR3C2 P08235 7/20 0.43
AR P10275 6/20 0.43
IMPDH2 P12268 2/20 0.41
BRD4 O60885 2/20 0.37
XDH P47989 1/20 0.35
MAPK1 P28482 1/20 0.35
P2RX7 Q99572 1/20 0.35
EPHX2 P34913 1/20 0.34
PPARG P37231 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
SCHEMBL915366 0.88 ALDH1A1 (0.36) IMPDH2XDHMAPK1P2RX7
SCHEMBL917251 0.86 ALDH1A1 (0.34) IMPDH2XDHMAPK1P2RX7
SCHEMBL916264 0.83 ALDH1A1 (0.34) XDHMAPK1P2RX7
SCHEMBL916462 0.83 LMNA (0.36) IMPDH2XDHP2RX7
SCHEMBL711086 0.83 KMT2A (0.38) PGRNR3C1NR3C2ARBRD4
SCHEMBL916474 0.82 IMPDH2 (0.40) ARIMPDH2XDH
SCHEMBL916794 0.81 CYP1A2 (0.41) MAPK1P2RX7
SCHEMBL709121 0.80 P2RX7 (0.44) MAPK1P2RX7
SCHEMBL917250 0.79 ALDH1A1 (0.37) XDHMAPK1
SCHEMBL916614 0.74 GAA (0.36) BRD4MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742912-A1 NOVEL ANDROGENS N.V. Organon (NL) 2007-01-17 EP claimed
WO-2005102998-A1 NOVEL ANDROGENS N.V. ORGANON (NL) 2005-11-03 WO claimed