SCHEMBL8796704

SCHEMBL8796704

CCCCNCc1ccccc1CNc1ncnc2cc(NCC)c([N+](=O)[O-])cc12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.50
ABCG2 Q9UNQ0 1/20 0.43
PDGFRB P09619 1/20 0.42
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
FBP1 P09467 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
PPARG P37231 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NR2E3 Q9Y5X4 1/20 0.39
NCOR2 Q9Y618 1/20 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
SCHEMBL7520287 0.91 EGFR (0.50) EGFRABCG2PDGFRBMAPK1ALDH1A1
SCHEMBL8795337 0.89 EGFR (0.46) EGFRABCG2PDGFRBMAPK1ALDH1A1
SCHEMBL7520053 0.87 EGFR (0.56) EGFRABCG2PDGFRBMAPK1ALDH1A1
SCHEMBL7526231 0.87 EGFR (0.52) EGFRABCG2PDGFRBMAPK1ALDH1A1
SCHEMBL8796440 0.87 EGFR (0.53) EGFRABCG2PDGFRBMAPK1ALDH1A1
SCHEMBL8796602 0.85 EGFR (0.48) EGFRABCG2PDGFRBMAPK1ALDH1A1
SCHEMBL8795549 0.85 EGFR (0.52) EGFRABCG2PDGFRBMAPK1ALDH1A1
SCHEMBL7519922 0.85 EGFR (0.58) EGFRABCG2PDGFRBMAPK1ALDH1A1
SCHEMBL7520151 0.85 EGFR (0.53) EGFRABCG2PDGFRBMAPK1ALDH1A1
SCHEMBL8796546 0.84 EGFR (0.51) EGFRABCG2PDGFRBMAPK1ALDH1A1

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
US-5698560-A TREATMENT OF CARDIOVASCULAR DISORDERS; ANTICOAGULANTS; CARDIOTONIC AGENTS; HYPOTENSIVE AGENTS; ARTERIOSCLEROSIS; CYCLIC GMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-12-16 US disclosed
EP-0758653-A1 IMIDAZOQUINAZOLINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-02-19 EP disclosed