SCHEMBL8796500

SCHEMBL8796500

CCNc1cc2ncnc(NCc3ccc(OCCO)cc3)c2cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PDGFRB P09619 1/20 0.46
EGFR P00533 9/20 0.45
ERBB2 P04626 2/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
NR2F2 P24468 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
SCHEMBL8795332 0.90 HTT (0.48) MEN1KMT2APDGFRBEGFRHTT
SCHEMBL8796525 0.89 PDGFRB (0.46) MEN1KMT2APDGFRBEGFRKDM4E
SCHEMBL8825753 0.89 MEN1 (0.60) MEN1KMT2AEGFRHTTKDM4E
SCHEMBL8795709 0.88 EGFR (0.49) MEN1KMT2APDGFRBEGFRERBB2
SCHEMBL8795881 0.88 MEN1 (0.44) MEN1KMT2APDGFRBEGFRERBB2
SCHEMBL8795099 0.88 MEN1 (0.44) MEN1KMT2APDGFRBEGFRERBB2
SCHEMBL8795310 0.88 AURKA (0.44) MEN1KMT2APDGFRBEGFRERBB2
SCHEMBL8796051 0.87 MEN1 (0.43) MEN1KMT2APDGFRBEGFRERBB2
SCHEMBL8796096 0.86 RPS6KB1 (0.46) MEN1KMT2APDGFRBEGFRHTT
SCHEMBL7520792 0.86 EGFR (0.45) MEN1KMT2APDGFRBEGFRERBB2

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