SCHEMBL8795337

SCHEMBL8795337

CCCCNCc1ccc(CNc2ncnc3cc(NCC)c([N+](=O)[O-])cc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.46
ERBB2 P04626 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK1 P28482 1/20 0.40
PDGFRB P09619 1/20 0.40
FBP1 P09467 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40

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
SCHEMBL8795238 0.94 EGFR (0.47) EGFRERBB2KDM4EALDH1A1HTT
SCHEMBL8796704 0.89 EGFR (0.50) EGFRKDM4EALDH1A1HTTMAPK1
SCHEMBL7522588 0.87 EGFR (0.47) EGFRERBB2KDM4EALDH1A1HTT
SCHEMBL7524564 0.87 EGFR (0.50) EGFRERBB2KDM4EALDH1A1HTT
SCHEMBL8825884 0.87 ALDH1A1 (0.55) EGFRERBB2KDM4EALDH1A1HTT
SCHEMBL8825890 0.86 EGFR (0.58) EGFRKDM4EHTT
SCHEMBL8795709 0.86 EGFR (0.49) EGFRERBB2KDM4EALDH1A1HTT
SCHEMBL8825554 0.86 EGFR (0.57) EGFRERBB2KDM4EALDH1A1HTT
SCHEMBL8825977 0.86 MAPK1 (0.55) EGFRERBB2HTTMAPK1
SCHEMBL8825839 0.86 EGFR (0.62) EGFRKDM4EHTTMAPK1

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