SCHEMBL8825977

SCHEMBL8825977

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

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.55
EGFR P00533 4/20 0.50
HTT P42858 1/20 0.49
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
CNR1 P21554 4/20 0.46
CNR2 P34972 2/20 0.46
LMNA P02545 1/20 0.46
STAT1 P42224 1/20 0.45
ERBB2 P04626 1/20 0.44

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
SCHEMBL8825884 0.91 ALDH1A1 (0.55) MAPK1EGFRHTTMAPTL3MBTL1
SCHEMBL7524564 0.91 EGFR (0.50) MAPK1EGFRHTTERBB2
SCHEMBL8795709 0.90 EGFR (0.49) MAPK1EGFRHTTERBB2
SCHEMBL8825554 0.90 EGFR (0.57) EGFRHTTCNR1CNR2LMNA
SCHEMBL8825839 0.89 EGFR (0.62) MAPK1EGFRHTTLMNA
SCHEMBL7521999 0.89 EGFR (0.50) MAPK1EGFRHTTERBB2
SCHEMBL8825848 0.88 EGFR (0.50) EGFRHTTLMNAERBB2
SCHEMBL8825757 0.88 KDM4E (0.51) MAPK1EGFRHTTMAPTTDP1
SCHEMBL8795238 0.88 EGFR (0.47) MAPK1EGFRHTTERBB2
SCHEMBL8825593 0.88 EGFR (0.46) MAPK1EGFRERBB2

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