SCHEMBL8235013

SCHEMBL8235013

Cc1ccc(-c2ncco2)cc1-c1ccc(NC(=O)[C@@H](C)C(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL2 P60568 4/20 0.46
MAPK14 Q16539 3/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CG P48736 1/20 0.41
CIT O14578 4/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 2/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PSEN1 P49768 4/20 0.39
PSEN2 P49810 4/20 0.39
APH1B Q8WW43 4/20 0.39
NCSTN Q92542 4/20 0.39
APH1A Q96BI3 4/20 0.39

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
SCHEMBL5034941 0.91 RAB9A (0.48) IL2MAPK14NPC1ALDH1A1RAB9A
SCHEMBL5034913 0.89 CIT (0.53) IL2MAPK14PIK3CDPIK3CGCIT
SCHEMBL8235133 0.89 CIT (0.53) IL2MAPK14PIK3CDPIK3CGCIT
SCHEMBL5031529 0.89 CIT (0.51) IL2MAPK14PIK3CDPIK3CGCIT
SCHEMBL5030724 0.85 IL2 (0.50) IL2MAPK14PIK3CDPIK3CGNPC1
SCHEMBL5030643 0.85 CIT (0.46) IL2PIK3CDPIK3CGCITF11
SCHEMBL8235106 0.84 CIT (0.58) CIT
SCHEMBL8232850 0.83 CIT (0.56) IL2MAPK14PIK3CDPIK3CGCIT
SCHEMBL5034886 0.82 CIT (0.44) IL2MAPK14PIK3CDPIK3CGCIT
SCHEMBL5033022 0.82 IL2 (0.48) IL2MAPK14PIK3CDPIK3CGNPC1

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
WO-2007087442-A2 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 WO disclosed