SCHEMBL8796303

SCHEMBL8796303

CCNc1cc2ncnc(NCc3ccccc3C(C)N3CCOCC3)c2cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.46
PDGFRB P09619 1/20 0.43
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 1/20 0.36
STAT6 P42226 1/20 0.36
FBP1 P09467 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL8796180 0.91 EGFR (0.47) EGFRPDGFRBALDH1A1L3MBTL1MAPK1
SCHEMBL8796308 0.86 EGFR (0.47) EGFRPDGFRBALDH1A1MAPTTDP1
SCHEMBL7514367 0.85 MAPT (0.48) EGFRPDGFRBALDH1A1MAPTTDP1
SCHEMBL8796332 0.84 EGFR (0.50) EGFRPDGFRBALDH1A1MAPK1FBP1
SCHEMBL7519162 0.82 CYP1A2 (0.47) EGFRPDGFRBALDH1A1MAPTMAPK1
SCHEMBL8795363 0.82 PDGFRB (0.43) EGFRPDGFRBALDH1A1MAPTMAPK1
SCHEMBL8070330 0.81 ALDH1A1 (0.49) EGFRALDH1A1MAPTMAPK1
SCHEMBL8796285 0.81 SRC (0.47) EGFRPDGFRBMAPK1
SCHEMBL7520053 0.81 EGFR (0.56) EGFRPDGFRBALDH1A1MAPK1FBP1
SCHEMBL8795326 0.81 SRC (0.52) EGFR

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