SCHEMBL16456948

SCHEMBL16456948

Cc1cc(NC(=O)c2cc(C[C@H](C)OCc3ccccc3)n(-c3ccc(Cl)cc3C(F)(F)F)c2C)ccc1S(N)(=O)=O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 4/20 0.57
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
LRRK2 Q5S007 1/20 0.36
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CA12 O43570 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
PTGES2 Q9H7Z7 1/20 0.35
TMPRSS4 Q9NRS4 4/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
P2RX4 Q99571 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
SCHEMBL16457022 0.94 NR3C2 (0.62) NR3C2SLC1A3SLC1A2SLC1A1LRRK2
SCHEMBL16457052 0.88 NR3C2 (0.49) NR3C2SLC1A3SLC1A2SLC1A1MAPT
SCHEMBL2359256 0.87 NR3C2 (0.75) NR3C2LRRK2MAPTMAPK1NPSR1
SCHEMBL2551383 0.87 NR3C2 (0.74) NR3C2MAPTMAPK1NPSR1PTGES2
SCHEMBL16456970 0.86 NR3C2 (0.52) NR3C2SLC1A3SLC1A2SLC1A1LRRK2
SCHEMBL16457142 0.84 NR3C2 (0.54) NR3C2SLC1A3SLC1A2SLC1A1LRRK2
SCHEMBL16458046 0.82 NR3C2 (0.52) NR3C2SLC1A3SLC1A2SLC1A1LRRK2
SCHEMBL16457250 0.82 NR3C2 (0.44) NR3C2MAPTCA12CA2CA9
SCHEMBL2551428 0.81 NR3C2 (0.74) NR3C2MAPTNPSR1CA12CA2
SCHEMBL16456941 0.81 NR3C2 (0.60) NR3C2MAPTMAPK1NPSR1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349996-B1 1-PHENYLPYRROLE COMPOUNDS EXELIXIS INC (US) 2014-01-01 EP disclosed