SCHEMBL8809965

SCHEMBL8809965

N#CC1=C(n2cccc2)OC2=C(CCc3ccccc32)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
MAPT P10636 5/20 0.52
LMNA P02545 5/20 0.52
KDM4E B2RXH2 3/20 0.52
MAPK1 P28482 1/20 0.52
MYB P10242 1/20 0.42
GAA P10253 3/20 0.42
GLA P06280 2/20 0.42
ALOX12 P18054 1/20 0.42
LNPEP Q9UIQ6 1/20 0.38
KMT2A Q03164 4/20 0.37
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
MPI P34949 1/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 3/20 0.36
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL8548341 0.89 ALDH1A1 (0.51) ALDH1A1MAPTLMNAKDM4EMAPK1
SCHEMBL8548692 0.87 ALDH1A1 (0.69) ALDH1A1MAPTLMNAKDM4EMAPK1
SCHEMBL8544752 0.81 ALDH1A1 (0.51) ALDH1A1MAPTLMNAKDM4EMAPK1
SCHEMBL8809302 0.81 MAPT (0.56) ALDH1A1MAPTLMNAKDM4EMAPK1
SCHEMBL8807559 0.81 ALDH1A1 (0.53) ALDH1A1MAPTLMNAKDM4EMAPK1
SCHEMBL8549311 0.79 MAPT (0.49) ALDH1A1MAPTLMNAKDM4EMAPK1
SCHEMBL8808471 0.79 ALDH1A1 (0.52) ALDH1A1MAPTLMNAKDM4EMAPK1
SCHEMBL8808989 0.78 MAPT (0.51) ALDH1A1MAPTLMNAKDM4EMAPK1
SCHEMBL8542516 0.77 MAPT (0.46) ALDH1A1MAPTLMNAKDM4EMAPK1
SCHEMBL8542520 0.77 MAPT (0.46) ALDH1A1MAPTLMNAKDM4EMAPK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0618206-B1 Pharmaceutical compounds LILLY INDUSTRIES LTD (GB) 1997-09-17 EP disclosed
US-5576325-A TREATMENT OF IMMUNE DISEASES, RESTENOSIS, ENZYME INHIBITORS AND ANTISPASMODIC AGENTS LILLY INDUSTRIES LIMITED (GB) 1996-11-19 US disclosed
US-5574034-A TREATMENT OF IMMUNE DISEASES AND EXCESS CELL PROLIFERATION, ENZYME INHIBITORS ELI LILLY AND COMPANY (US) 1996-11-12 US disclosed
US-5571818-A FOR TREATING IMMUNE DISEASES OR A DISEASE IN WHICH EXCESS CELL PROLIFERATION OR ENZYME RELEASE OCCUR ELI LILLY AND COMPANY (US) 1996-11-05 US disclosed
US-5514699-A Pharmaceutical compounds LILLY INDUSTRIES LIMITED (GB) 1996-05-07 US disclosed
EP-0618206-A1 Pharmaceutical compounds LILLY INDUSTRIES LIMITED (GB) 1994-10-05 EP disclosed