SCHEMBL2655005

SCHEMBL2655005

CC(C)(Oc1cc(F)ccc1F)C(=O)Nc1nc(CC(=O)O)c(Cl)s1.CC(C)(Oc1cccc([N+](=O)[O-])c1)C(=O)Nc1nc(CC(=O)O)c(Cl)s1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 4/20 0.69
▸ ADORA2A P29274 8/20 0.39
▸ POLB P06746 1/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ ADORA3 P0DMS8 2/20 0.35
▸ ADORA2B P29275 2/20 0.35
▸ ADORA1 P30542 2/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ MAPT P10636 3/20 0.34
▸ RIPK1 Q13546 1/20 0.34
▸ RIPK3 Q9Y572 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ AKR1B1 P15121 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
SCHEMBL2657448 0.91 GCK (0.58) GCKADORA2APOLBALDH1A1MAPT
SCHEMBL2657284 0.87 GCK (0.89) GCKADORA2APOLBADORA3ADORA2B
SCHEMBL2656632 0.82 GCK (1.00) GCKADORA2APOLBADORA3ADORA2B
SCHEMBL2655680 0.81 GCK (0.60) GCKPOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL2657222 0.80 GCK (0.71) GCKADORA2APOLBADORA3ADORA2B
SCHEMBL10200351 0.77 GCK (0.62) GCKADORA2APOLBCNR1ADORA3
SCHEMBL2656277 0.76 GCK (0.71) GCKADORA2APOLBADORA3ADORA2B
SCHEMBL2657563 0.76 GCK (0.67) GCKADORA2APOLBADORA3ALDH1A1
SCHEMBL2655646 0.75 GCK (0.54) GCKADORA2APOLBADORA3ADORA2B
SCHEMBL2655826 0.74 GCK (0.82) GCKADORA2APOLBCNR1CNR2

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 claimed
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 claimed
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