SCHEMBL8825890

SCHEMBL8825890

CCCCNc1cc2ncnc(NCc3ccccc3)c2cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.58
LMNA P02545 2/20 0.50
HTT P42858 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
LCK P06239 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
GALR3 O60755 1/20 0.46
NR2F2 P24468 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL8825735 0.94 EGFR (0.60) EGFRLMNAHTTKDM4EHPGD
SCHEMBL8825839 0.90 EGFR (0.62) EGFRLMNAHTTKDM4EHPGD
SCHEMBL8825695 0.90 EGFR (0.67) EGFRLMNAHTTKDM4EHPGD
SCHEMBL7520287 0.87 EGFR (0.50) EGFRLMNAHTTHPGDSMN1; SMN2
SCHEMBL8825793 0.86 EGFR (0.64) EGFRLMNAHTTKDM4EHPGD
SCHEMBL8795337 0.86 EGFR (0.46) EGFRHTTKDM4E
SCHEMBL7531564 0.85 EGFR (0.57) EGFRLMNAHTTKDM4EHPGD
SCHEMBL8825780 0.84 EGFR (0.60) EGFRLMNAHTTKDM4EHPGD
SCHEMBL8796704 0.83 EGFR (0.50) EGFRHTTKDM4EHPGD
SCHEMBL8795238 0.82 EGFR (0.47) EGFRHTTKDM4E

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