SCHEMBL4417523

SCHEMBL4417523

CC(=O)On1ccc2c([N+](=O)[O-])cccc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
TDP1 Q9NUW8 3/20 0.43
HSP90AA1 P07900 1/20 0.39
ALDH1A1 P00352 4/20 0.39
GPR35 Q9HC97 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 3/20 0.38
TLR9 Q9NR96 2/20 0.38
CCR2 P41597 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 2/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
THRB P10828 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL27923128 0.85 GAA (0.42) GAATDP1HSP90AA1ALDH1A1GPR35
SCHEMBL27792905 0.84 BCL9 (0.41) GAATDP1HSP90AA1ALDH1A1MEN1
SCHEMBL4425276 0.77 HTR2C (0.42) GAAMEN1KMT2APOLBMAPT
SCHEMBL16493596 0.76 NOTUM (0.37) TDP1ALDH1A1MEN1KMT2ACCR2
SCHEMBL27632906 0.75 CREBBP (0.44) GAATDP1ALDH1A1GPR35MEN1
SCHEMBL27695721 0.75 TDP1 (0.41) GAATDP1ALDH1A1GPR35MEN1
SCHEMBL7333463 0.75 GAA (0.41) GAATDP1ALDH1A1GPR35L3MBTL1
SCHEMBL11223006 0.73 TDP1 (0.53) GAATDP1HSP90AA1ALDH1A1GPR35
SCHEMBL2475315 0.73 GAA (0.66) GAATDP1ALDH1A1GPR35TSHR
SCHEMBL3653655 0.73 HSPB1 (0.45) GAAALDH1A1MEN1KMT2AL3MBTL1

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-2094662-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS Astellas Pharma Inc. (JP) 2009-09-02 EP disclosed
WO-2008072784-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2008-06-19 WO disclosed