SCHEMBL5505212

SCHEMBL5505212

CC(C)(C=O)Cn1cnc(-c2cccnc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 9/20 0.68
CYP3A4 P08684 7/20 0.68
CYP2C19 P33261 5/20 0.68
CYP2E1 P05181 4/20 0.68
CYP2C9 P11712 4/20 0.68
CYP2B6 P20813 4/20 0.68
CYP2D6 P10635 2/20 0.58
LOXL2 Q9Y4K0 1/20 0.43
KIF11 P52732 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
CYP1A2 P05177 3/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
ALK Q9UM73 1/20 0.38
PIM1 P11309 1/20 0.38
CYP19A1 P11511 1/20 0.38
HSP90AA1 P07900 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
SCHEMBL5504375 0.83 CYP2A6 (0.66) CYP2A6CYP3A4CYP2C19CYP2E1CYP2C9
SCHEMBL3604362 0.81 CYP2A6 (1.00) CYP2A6CYP3A4CYP2C19CYP2E1CYP2C9
SCHEMBL15471025 0.80 CYP2A6 (0.69) CYP2A6CYP3A4CYP2C19CYP2E1CYP2C9
SCHEMBL4869247 0.79 CYP2A6 (0.59) CYP2A6CYP3A4CYP2C19CYP2E1CYP2C9
SCHEMBL5209764 0.78 CYP2A6 (0.67) CYP2A6CYP3A4CYP2C19CYP2E1CYP2C9
SCHEMBL5504325 0.77 CYP2A6 (0.66) CYP2A6CYP3A4CYP2C19CYP2E1CYP2C9
SCHEMBL8204568 0.77 CYP2A6 (0.80) CYP2A6CYP3A4CYP2C19CYP2E1CYP2C9
SCHEMBL5510809 0.77 CYP2A6 (0.57) CYP2A6CYP3A4CYP2C19CYP2E1CYP2C9
SCHEMBL6690177 0.77 CYP2A6 (0.74) CYP2A6CYP3A4CYP2C19CYP2E1CYP2C9
SCHEMBL13300562 0.77 CYP2A6 (0.74) CYP2A6CYP3A4CYP2C19CYP2E1CYP2C9

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-1749832-A2 Carbamate and carbazate ketolide antibiotics Pfizer Products Incorporated (US) 2007-02-07 EP disclosed
EP-1298138-B1 Carbamate and Carbazate Ketolide Antibiotics PFIZER PROD INC (US) 2006-11-02 EP disclosed
US-6664238-B1 Such as 11-Deoxy-5-O-desosaminyl-11-(3,3-dimethyl-3-(4-pyridin-3-yl-imidazol-1-yl -propyl))hydrazo-6-O-methyl-3-oxoerythronolide A,11,12-carbamate, 9-E-(O-methyl)oxime; antibacterial and antiprotozoal agents PFIZER INC. 2003-12-16 US disclosed
EP-1298138-A1 Carbamate and Carbazate Ketolide Antibiotics Pfizer Products Inc. (US) 2003-04-02 EP disclosed
EP-1137654-A1 CARBAMATE AND CARBAZATE KETOLIDE ANTIBIOTICS Pfizer Products Inc. (US) 2001-10-04 EP disclosed
WO-2000034297-A1 CARBAMATE AND CARBAZATE KETOLIDE ANTIBIOTICS PFIZER PRODUCTS INC. (US) 2000-06-15 WO disclosed