SCHEMBL8825751

SCHEMBL8825751

CCNc1cc2ncnc(NCC3CCN(Cc4ccccc4)CC3)c2cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
HIF1A Q16665 1/20 0.55
MEN1 O00255 4/20 0.49
KMT2A Q03164 2/20 0.49
PDGFRB P09619 1/20 0.48
NSD2 O96028 1/20 0.47
ACHE P22303 9/20 0.46
MAPK1 P28482 3/20 0.45
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 1/20 0.45
FAAH O00519 3/20 0.44
BCHE P06276 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
BACE1 P56817 1/20 0.42

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
SCHEMBL8796541 0.85 EGFR (0.47) PDGFRBNSD2ACHEMAPK1MAPT
SCHEMBL9224976 0.83 PDGFRB (0.64) MEN1KMT2APDGFRBACHEMAPT
SCHEMBL8825797 0.83 PDGFRB (0.44) PDGFRBMAPT
SCHEMBL8825745 0.82 PDGFRB (0.46) CYP2D6MEN1KMT2APDGFRBNSD2
SCHEMBL8796240 0.81 EGFR (0.45) CYP1A2MEN1KMT2APDGFRBMAPK1
SCHEMBL8796234 0.81 PIK3CA (0.45) CYP1A2PDGFRBMAPK1MAPT
SCHEMBL8825839 0.81 EGFR (0.62) MAPK1RAB9A
SCHEMBL8796335 0.80 MAPK1 (0.45) PDGFRBMAPK1
SCHEMBL8796603 0.79 LMNA (0.44) KMT2APDGFRBMAPTNPSR1
SCHEMBL8825610 0.79 PDGFRB (0.61) MEN1KMT2APDGFRBACHEMAPT

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