SCHEMBL14540554

SCHEMBL14540554

CCNCCCOc1cc2nccc(Sc3ncc([N+](=O)[O-])s3)c2cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 6/20 0.45
MAPK9 P45984 6/20 0.45
PDGFRA P16234 2/20 0.38
KDR P35968 2/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 2/20 0.37
AGTR1 P30556 2/20 0.37
RAB9A P51151 2/20 0.37
TLR9 Q9NR96 2/20 0.37
S1PR4 O95977 1/20 0.37
HSP90AA1 P07900 1/20 0.37
S1PR1 P21453 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CASP7 P55210 2/20 0.36
CASP6 P55212 2/20 0.36
LMNA P02545 1/20 0.36
CTDSP1 Q9GZU7 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
SCHEMBL1892053 0.87 MAPK8 (0.48) MAPK8MAPK9PDGFRAKDRALDH1A1
SCHEMBL1893697 0.86 MAPK8 (0.41) MAPK8MAPK9PDGFRAKDRALDH1A1
SCHEMBL1893195 0.82 MAPK8 (0.45) MAPK8MAPK9PDGFRAKDRALDH1A1
SCHEMBL1896778 0.80 MAPK8 (0.43) MAPK8MAPK9PDGFRAKDRALDH1A1
SCHEMBL13627231 0.77 PDGFRA (0.50) PDGFRAKDR
SCHEMBL12663468 0.74 NPC1 (0.49) MAPK8MAPK9ALDH1A1MAPTNPC1
SCHEMBL1894465 0.73 EGFR (0.40) PDGFRAKDREGFR
SCHEMBL1894775 0.73 PDGFRA (0.45) PDGFRAKDREGFRMEN1KMT2A
SCHEMBL12503619 0.71 EGFR (0.41) PDGFRAKDREGFRTDP1EHMT2
SCHEMBL1893712 0.70 KDR (0.46) PDGFRAKDREGFREHMT2EHMT1

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-1777218-A1 Process for the preparation of 4-phenoxy quinoline derivatives Eisai R&D Management Co., Ltd. (JP) 2007-04-25 EP disclosed