SCHEMBL2656998

SCHEMBL2656998

CC(CC(=O)Nc1ncc(Cl)s1)Oc1ccc(CC(=O)O)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 4/20 0.44
▸ S1PR1 P21453 1/20 0.42
▸ GCK P35557 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ CASP6 P55212 1/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ CCNT1 O60563 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ CDK4 P11802 1/20 0.39
▸ CCNB1 P14635 1/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CCND1 P24385 1/20 0.39
▸ CCNE1 P24864 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CDK7 P50613 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ CCNH P51946 1/20 0.39

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
SCHEMBL2656996 0.80 GCK (0.59) ROCK2GCKLMNAALDH1A1MAPT
SCHEMBL2657246 0.73 CSNK2A2 (0.47) LMNAALDH1A1MAPTSMN1; SMN2FFAR2
SCHEMBL22274974 0.68 KCNQ3 (0.48) LMNAMAPTCASP7CASP6
SCHEMBL5835392 0.66 CCNE1 (0.68) ROCK2LMNAALDH1A1MAPTCASP7
SCHEMBL1342602 0.65 MKNK2 (0.41) SMN1; SMN2FFAR2IDH2
SCHEMBL964652 0.65 GAA (0.45) LMNAALDH1A1MAPT
SCHEMBL1036212 0.64 GAA (0.68) LMNAALDH1A1
SCHEMBL2654866 0.64 GCK (0.65) GCKFFAR2IDH2
SCHEMBL2668379 0.64 SCN9A (0.42) GCKSMN1; SMN2FFAR2
SCHEMBL2658292 0.63 GCK (0.54) GCKFFAR2IDH2

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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