SCHEMBL27757355

SCHEMBL27757355

CC(C)(C)OC(=O)NCc1ccc2c(C(=O)O)n[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
CYP1A2 P05177 1/20 0.46
GRM2 Q14416 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 2/20 0.43
HAO1 Q9UJM8 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
PARP1 P09874 1/20 0.41
KDM4E B2RXH2 3/20 0.41
PRKAB2 O43741 2/20 0.41
PRKAG1 P54619 2/20 0.41
PRKAA2 P54646 2/20 0.41
PRKAA1 Q13131 2/20 0.41
PRKAG3 Q9UGI9 2/20 0.41
PRKAG2 Q9UGJ0 2/20 0.41

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
SCHEMBL958491 0.87 KDM4E (0.55) L3MBTL1CYP1A2GRM2SMN1; SMN2MAPT
SCHEMBL12124009 0.85 CYP1A2 (0.47) L3MBTL1CYP1A2GRM2MAPTTDP1
SCHEMBL28106371 0.82 PRKAG1 (0.44) SMN1; SMN2HAO1KDM4EPRKAB2PRKAG1
SCHEMBL28253844 0.76 PRKAG1 (0.47) HAO1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL11919262 0.76 PRKAG1 (0.51) SMN1; SMN2MAPTLMNAHAO1KDM4E
SCHEMBL24376424 0.75 GRM2 (0.52) L3MBTL1CYP1A2GRM2MAPTTDP1
SCHEMBL10209975 0.75 L3MBTL1 (0.47) L3MBTL1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL15730249 0.75 L3MBTL1 (0.47) L3MBTL1CYP1A2GRM2SMN1; SMN2MAPT
SCHEMBL10210032 0.75 ROCK2 (0.52) L3MBTL1CYP1A2GRM2MAPTPRKAA1
SCHEMBL13375159 0.74 PRKAG1 (0.63) HAO1PRKAB2PRKAG1PRKAA2PRKAA1

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
CN-101528708-B Indazole derivatives useful as l-cpt1 inhibitors HOFFMANN LA ROCHE 2012-01-04 CN disclosed
CN-101528708-A Indazole derivatives useful as L-CPT1 inhibitors HOFFMANN LA ROCHE (CH) 2009-09-09 CN disclosed