SCHEMBL8770261

SCHEMBL8770261

CC(C)(C)OC(=O)C(F)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.45
MAPT P10636 6/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
HTT P42858 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
LMNA P02545 3/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.43
MAPK1 P28482 3/20 0.42
BCL9 O00512 1/20 0.41
CTNNB1 P35222 1/20 0.41
HSPB1 P04792 1/20 0.41
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
ADRB2 P07550 1/20 0.40

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
SCHEMBL6986077 0.82 HTR2A (0.46) HTR2AMAPTMEN1KMT2AHTT
SCHEMBL6609952 0.79 ALDH1A1 (0.49) MAPTMEN1KMT2ANPC1LMNA
SCHEMBL7548121 0.79 MAPT (0.51) HTR2AMAPTMEN1KMT2AHTT
SCHEMBL24058871 0.77 MGLL (0.52) HTR2AMAPTMEN1KMT2AHTT
SCHEMBL19871006 0.77 MGLL (0.52) HTR2AMAPTMEN1KMT2AHTT
SCHEMBL3527114 0.76 ALDH1A1 (0.51) MAPTMEN1KMT2ANPC1LMNA
SCHEMBL29101053 0.75 ALDH1A1 (0.51) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL22013867 0.75 ALDH1A1 (0.51) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL550633 0.75 KMT2A (0.52) MAPTMEN1KMT2ARAB9ALMNA
SCHEMBL4828326 0.74 MEN1 (0.48) MAPTMEN1KMT2AHTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0632019-B1 Acylureas ZENECA LTD (GB) 1997-09-24 EP disclosed
US-5576334-A ANTICOAGULANTS ZENECA LIMITED (GB) 1996-11-19 US disclosed
EP-0632019-A1 Acylureas ZENECA LIMITED (GB) 1995-01-04 EP disclosed