SCHEMBL8795238

SCHEMBL8795238

CCCNCc1ccc(CNc2ncnc3cc(NCC)c([N+](=O)[O-])cc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.47
ERBB2 P04626 2/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK1 P28482 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
FBP1 P09467 1/20 0.41
PDGFRB P09619 1/20 0.41
USP10 Q14694 1/20 0.41
PIK3C3 Q8NEB9 1/20 0.41
USP13 Q92995 1/20 0.41

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
SCHEMBL8795337 0.94 EGFR (0.46) EGFRERBB2KDM4EALDH1A1HTT
SCHEMBL7522588 0.91 EGFR (0.47) EGFRERBB2KDM4EALDH1A1HTT
SCHEMBL8825884 0.89 ALDH1A1 (0.55) EGFRERBB2KDM4EALDH1A1HTT
SCHEMBL7524564 0.89 EGFR (0.50) EGFRERBB2KDM4EALDH1A1HTT
SCHEMBL8825977 0.88 MAPK1 (0.55) EGFRERBB2HTTMAPK1
SCHEMBL8825554 0.88 EGFR (0.57) EGFRERBB2KDM4EALDH1A1HTT
SCHEMBL8795709 0.88 EGFR (0.49) EGFRERBB2KDM4EALDH1A1HTT
SCHEMBL8825839 0.88 EGFR (0.62) EGFRKDM4EHTTMAPK1
SCHEMBL7521999 0.87 EGFR (0.50) EGFRERBB2KDM4EALDH1A1HTT
SCHEMBL8825848 0.87 EGFR (0.50) EGFRERBB2KDM4EALDH1A1HTT

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