SCHEMBL8809302

SCHEMBL8809302

N#CC1=C(n2cccc2)OC2=C(CCc3ccccc32)C1c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.56
KDM4E B2RXH2 11/20 0.56
ALDH1A1 P00352 11/20 0.56
LMNA P02545 5/20 0.56
MAPK1 P28482 1/20 0.56
GLA P06280 3/20 0.45
GAA P10253 3/20 0.45
ALOX12 P18054 1/20 0.45
HTT P42858 5/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 2/20 0.42
THRB P10828 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
NPC1 O15118 4/20 0.39
HPGD P15428 4/20 0.39
PKM P14618 1/20 0.39
POLB P06746 3/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL8548614 0.86 MAPT (0.77) MAPTKDM4EALDH1A1LMNAMAPK1
SCHEMBL8809965 0.81 ALDH1A1 (0.52) MAPTKDM4EALDH1A1LMNAMAPK1
SCHEMBL8807559 0.80 ALDH1A1 (0.53) MAPTKDM4EALDH1A1LMNAMAPK1
SCHEMBL8808471 0.79 ALDH1A1 (0.52) MAPTKDM4EALDH1A1LMNAMAPK1
SCHEMBL8541121 0.78 KDM4E (0.53) MAPTKDM4EALDH1A1LMNAMAPK1
SCHEMBL8808989 0.78 MAPT (0.51) MAPTKDM4EALDH1A1LMNAMAPK1
SCHEMBL8548966 0.75 MAPT (0.50) MAPTKDM4EALDH1A1LMNAMAPK1
SCHEMBL8548964 0.75 MAPT (0.50) MAPTKDM4EALDH1A1LMNAMAPK1
SCHEMBL8543522 0.71 MAPT (0.54) MAPTKDM4EALDH1A1LMNAMAPK1
SCHEMBL8811314 0.70 ALDH1A1 (0.54) MAPTKDM4EALDH1A1LMNAGLA

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