SCHEMBL2662129

SCHEMBL2662129

CC(C)(Oc1ccc([N+](=O)[O-])cc1)C(=O)N(c1ccccc1)c1nc(CC(=O)Nc2ccc(F)cc2)c(Cl)s1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SGK1 O00141 1/20 0.38
▸ MAPT P10636 8/20 0.37
▸ GCK P35557 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ ALDH1A1 P00352 7/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ HTT P42858 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ FNTA P49354 1/20 0.35
▸ FNTB P49356 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.34

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
SCHEMBL2655646 0.82 GCK (0.54) SGK1MAPTGCKGAAALDH1A1
SCHEMBL2655680 0.69 GCK (0.60) MAPTGCKALDH1A1MEN1KMT2A
SCHEMBL18405606 0.65 ALDH1A1 (0.64) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL2660257 0.65 GCK (0.53) MAPTGCKALDH1A1MEN1KMT2A
SCHEMBL2656364 0.64 GCK (0.80) GCKALDH1A1KMT2AHTTNPC1
SCHEMBL2660261 0.64 GCK (0.49) MAPTGCKGAAMEN1KMT2A
SCHEMBL6555962 0.63 GAA (0.64) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL17186686 0.63 CYP1A2 (0.64) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL2657448 0.63 GCK (0.58) MAPTGCKALDH1A1MEN1KMT2A
SCHEMBL1304943 0.62 MEN1 (0.65) MAPTALDH1A1MEN1KMT2AHTT

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-2125735-A2 2,2,2-TRI-SUBSTITUTED ACETAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION Advinus Therapeutics Private Limited (IN) 2009-12-02 — — EP disclosed
WO-2008104994-A2 2,2,2-TRI-SUBSTITUTED ACETAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2008-09-04 — — WO disclosed
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