SCHEMBL8796240

SCHEMBL8796240

CCNc1cc2ncnc(NCc3ccc(CN4CCCC4)cc3)c2cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.45
PDGFRB P09619 1/20 0.44
PIK3CA P42336 1/20 0.44
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.41
ERBB2 P04626 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL8796234 0.99 PIK3CA (0.45) EGFRPDGFRBPIK3CAMAPTMAPK1
SCHEMBL8796335 0.93 MAPK1 (0.45) EGFRPDGFRBPIK3CAMAPK1ERBB2
SCHEMBL8796603 0.92 LMNA (0.44) EGFRPDGFRBMAPTKDM4EALDH1A1
SCHEMBL7522631 0.89 MAPT (0.55) EGFRPDGFRBMAPTMAPK1CYP1A2
SCHEMBL7518944 0.88 MAPT (0.54) EGFRPDGFRBMAPTMAPK1CYP1A2
SCHEMBL8795810 0.88 EGFR (0.49) EGFRPDGFRBPIK3CAMAPTMAPK1
SCHEMBL8796096 0.88 RPS6KB1 (0.46) EGFRPDGFRBPIK3CAKDM4EALDH1A1
SCHEMBL8796375 0.87 EGFR (0.48) EGFRPDGFRBPIK3CAMAPTMAPK1
SCHEMBL8795890 0.87 PIK3CA (0.47) EGFRPDGFRBPIK3CAKDM4EALDH1A1
SCHEMBL8825977 0.86 MAPK1 (0.55) EGFRMAPTMAPK1ERBB2HTT

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 7 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-0485636-B1 INDOLE DERIVATIVE TORAY INDUSTRIES (JP) 1997-03-12 EP disclosed
EP-0758653-A1 IMIDAZOQUINAZOLINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-02-19 EP disclosed
EP-0735026-A1 Method for the production of isoquinoline derivatives and their use as intermediates in the preparation of indole derivatives TORAY INDUSTRIES, INC. (JP) 1996-10-02 EP disclosed
US-5539119-A MULTISTAGE FORMATION BY OXIDATION, REDUCING A CARBAMATE TO FORM AN ENAMINE, FORMING AN OXIDE TORAY INDUSTRIES, INC. (JP) 1996-07-23 US disclosed
US-5244904-A Immunorepressant, analgesic TORAY INDUSTRIES, INC. (JP) 1993-09-14 US disclosed
EP-0485636-A1 INDOLE DERIVATIVE TORAY INDUSTRIES, INC. (JP) 1992-05-20 EP disclosed