SCHEMBL9959252

SCHEMBL9959252

NCc1ccc(Cl)c(C(=O)Nc2ncc[nH]2)c1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGES O14684 11/20 0.67
LOXL2 Q9Y4K0 1/20 0.44
KLKB1 P03952 2/20 0.40
ALPL P05186 1/20 0.40
FFAR2 O15552 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
FGFR3 P22607 1/20 0.39
ALDH1A1 P00352 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
Hydrochloric Acid SCHEMBL9931386 0.99 PTGES (0.66) PTGESLOXL2KLKB1ALPLFFAR2
SCHEMBL9931451 0.81 PTGES (1.00) PTGESFFAR2
Ly-3031207 SCHEMBL9931208 0.81 PTGES (1.00) PTGES
SCHEMBL9960827 0.80 PTGES (0.73) PTGESALPLFFAR2JAK2JAK1
SCHEMBL9931625 0.79 PTGES (0.71) PTGES
SCHEMBL9931813 0.78 PTGES (1.00) PTGES
SCHEMBL9932157 0.78 PTGES (0.81) PTGES
SCHEMBL18912321 0.77 LOXL2 (0.47) PTGESLOXL2
SCHEMBL9931961 0.77 PTGES (0.68) PTGES
SCHEMBL3596142 0.69 ALDH1A1 (0.54) PTGESALDH1A1

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
EP-2655335-A1 NOVEL IMIDAZOLE-2-BENZAMIDE COMPOUNDS USEFUL FOR THE TREATMENT OF OSTEOARTHRITIS Eli Lilly and Company (US) 2013-10-30 EP disclosed
WO-2012087771-A1 NOVEL IMIDAZOLE-2-BENZAMIDE COMPOUNDS USEFUL FOR THE TREATMENT OF OSTEOARTHRITIS ELI LILLY AND COMPANY (US) 2012-06-28 WO disclosed