SCHEMBL4632276

SCHEMBL4632276

CCCCOC(=O)NN1C(=O)c2ccccc2C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 2/20 0.48
RAB9A P51151 2/20 0.48
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.46
ASAH1 Q13510 1/20 0.46
LMNA P02545 2/20 0.45
HSD17B10 Q99714 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
PTGS1 P23219 1/20 0.43

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
SCHEMBL7590942 0.84 KDM4E (0.57) ALDH1A1KDM4ERAB9AMAPTNPSR1
SCHEMBL22634236 0.84 ALDH1A1 (0.47) ALDH1A1KDM4ERAB9AMAPTNPSR1
SCHEMBL22638051 0.84 ALDH1A1 (0.43) ALDH1A1KDM4ERAB9AMAPTNPSR1
SCHEMBL22634223 0.79 ALDH1A1 (0.48) ALDH1A1KDM4ERAB9AMAPTNPSR1
SCHEMBL11782335 0.77 BCHE (0.58) ALDH1A1L3MBTL1TSHRTDP1MEN1
SCHEMBL21359114 0.77 SMN1; SMN2 (0.50) ALDH1A1RAB9AL3MBTL1TSHRTDP1
SCHEMBL4633170 0.77 RAB9A (0.40) ALDH1A1RAB9ANPSR1L3MBTL1TSHR
SCHEMBL4079691 0.76 ALDH1A1 (0.48) ALDH1A1NPSR1TDP1CYP1A2CYP2C19
SCHEMBL11080358 0.76 CTSK (0.45) ALDH1A1KDM4ERAB9ANPSR1L3MBTL1
SCHEMBL11080357 0.76 ASAH1 (0.52) ALDH1A1NPSR1TSHRCYP1A2CYP2C19

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1999114-A2 PYRAZOLES AS 11-BETA-HSD-1 F. Hoffmann-la Roche AG (CH) 2008-12-10 EP disclosed
EP-1928840-A1 1H-PYRAZOLE 4-CARBOXYLAMIDES, THEIR PREPARATION AND THEIR USE AS 11BETA-HYDROXYSTEROID DEHYDROGENASE F. Hoffmann-Roche AG (CH) 2008-06-11 EP disclosed
EP-1924563-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007107470-A2 PYRAZOLES AS 11-BETA-HSD-1 F. HOFFMANN-LA ROCHE AG (CH) 2007-09-27 WO disclosed
WO-2007025892-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1-INHIBITOR-DIABETES-TYPE 2-1 F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
WO-2006106052-A1 PYRAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2006-10-12 WO disclosed