SCHEMBL2656141

SCHEMBL2656141

CC(CC(=O)Nc1nccs1)Oc1ccc(C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.54
▸ RAB9A P51151 8/20 0.53
▸ NPC1 O15118 7/20 0.53
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ TP53 P04637 3/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ LMNA P02545 3/20 0.52
▸ PKM P14618 2/20 0.52
▸ CDK5 Q00535 1/20 0.52
▸ CDK5R1 Q15078 1/20 0.52
▸ HPGD P15428 2/20 0.51
▸ THRB P10828 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.48
▸ MAPT P10636 2/20 0.47
▸ NFKB1 P19838 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46

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
SCHEMBL2656267 0.88 NPC1 (0.56) ADORA2ARAB9ANPC1SMN1; SMN2TP53
SCHEMBL2657246 0.81 CSNK2A2 (0.47) RAB9ANPC1SMN1; SMN2TP53MEN1
SCHEMBL2656142 0.79 MEN1 (0.57) RAB9ANPC1SMN1; SMN2TP53MEN1
SCHEMBL2656757 0.77 NPC1 (0.52) ADORA2ARAB9ANPC1SMN1; SMN2TP53
Hydrochloric Acid SCHEMBL7381662 0.76 MEN1 (0.54) ADORA2ARAB9ANPC1SMN1; SMN2TP53
SCHEMBL12238632 0.75 ADORA2A (0.71) ADORA2ARAB9ANPC1SMN1; SMN2TP53
SCHEMBL13891638 0.75 GCK (0.79) GCK
SCHEMBL12858678 0.75 GCK (0.79) GCK
SCHEMBL2657877 0.73 GCK (0.77) GCK
SCHEMBL4290771 0.72 NPC1 (0.79) ADORA2ARAB9ANPC1SMN1; SMN2MEN1

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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