SCHEMBL8796409

SCHEMBL8796409

CCNc1cc2ncnc(NCc3ccccc3CN3CCN(c4ccccc4)CC3)c2cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.49
EGFR P00533 3/20 0.46
MAPT P10636 5/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPK1 P28482 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MITF O75030 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
BCL2 P10415 2/20 0.40
BCL2L1 Q07817 2/20 0.40
BCL2L2 Q92843 1/20 0.40
HTR1A P08908 1/20 0.39
DRD2 P14416 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
SCHEMBL8796541 0.92 EGFR (0.47) PDGFRBEGFRMAPTALDH1A1MAPK1
SCHEMBL8796008 0.91 EGFR (0.48) PDGFRBEGFRALDH1A1MAPK1L3MBTL1
SCHEMBL8796323 0.91 EGFR (0.48) PDGFRBEGFRALDH1A1MAPK1L3MBTL1
SCHEMBL8795810 0.91 EGFR (0.49) PDGFRBEGFRMAPTALDH1A1MAPK1
SCHEMBL8796308 0.90 EGFR (0.47) PDGFRBEGFRMAPTALDH1A1MAPK1
SCHEMBL8796375 0.90 EGFR (0.48) PDGFRBEGFRMAPTALDH1A1MAPK1
SCHEMBL8796457 0.90 PDGFRB (0.46) PDGFRBEGFRMAPTALDH1A1MAPK1
SCHEMBL8796694 0.90 PDGFRB (0.46) PDGFRBEGFRMAPTALDH1A1MAPK1
SCHEMBL8795620 0.88 EGFR (0.45) PDGFRBEGFRMAPTALDH1A1MAPK1
SCHEMBL8795560 0.87 ACHE (0.47) PDGFRBEGFRALDH1A1MAPK1LMNA

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-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-0758653-A1 IMIDAZOQUINAZOLINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-02-19 EP disclosed