SCHEMBL8825901

SCHEMBL8825901

CCNc1cc2ncnc(NCCc3ccncc3)c2cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.44
PDE5A O76074 1/20 0.44
EGFR P00533 3/20 0.43
PGK1 P00558 1/20 0.43
HTT P42858 5/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.42
STAT3 P40763 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDGFRB P09619 1/20 0.41
LMNA P02545 1/20 0.40
APP P05067 1/20 0.40
GAA P10253 1/20 0.40
NR2F2 P24468 1/20 0.40
AURKA O14965 1/20 0.39
FBP1 P09467 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
SCHEMBL8825770 0.91 MAPK1 (0.55) MAPK1EGFRHTTNPC1MAPT
SCHEMBL8825848 0.90 EGFR (0.50) PDE5AEGFRHTTPDGFRBLMNA
SCHEMBL8825889 0.88 MAPT (0.44) MAPK1EGFRHTTNPC1MAPT
SCHEMBL8825777 0.84 EGFR (0.50) EGFRPGK1PDGFRBLMNAFBP1
SCHEMBL7528662 0.84 EGFR (0.52) MAPK1PDE5AEGFRHTTNPC1
SCHEMBL8825813 0.84 PKM (0.56) MAPK1EGFRPGK1HTTNPC1
SCHEMBL8825716 0.80 CCNC (0.51) EGFRHTTNPC1MAPTRAB9A
SCHEMBL8825839 0.80 EGFR (0.62) MAPK1EGFRHTTRAB9ASMN1; SMN2
SCHEMBL8825726 0.80 EGFR (0.43) PDE5AEGFRPGK1SMN1; SMN2PDGFRB
SCHEMBL8825743 0.80 HTT (0.55) MAPK1EGFRHTTMAPTMEN1

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-5661147-A CYCLIC GUANOSINE MONOPHOSPHATE-SPECIFIC PHOSPHODIESTERASE INHIBITOR; TREATING CARDIOVASCULAR DISORDER KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-08-26 US disclosed
EP-0668280-A1 IMIDAZOQUINAZOLINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-08-23 EP disclosed