SCHEMBL4180616

SCHEMBL4180616

CCNC(=O)c1ccccc1Oc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.65
NPSR1 Q6W5P4 1/20 0.65
ALDH1A1 P00352 3/20 0.62
GAA P10253 2/20 0.62
HPGD P15428 2/20 0.62
MAPK8 P45983 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
HTT P42858 1/20 0.62
ATM Q13315 1/20 0.62
KDM4E B2RXH2 1/20 0.61
RAB9A P51151 1/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
CTNNB1 P35222 1/20 0.56
HCRTR1 O43613 2/20 0.54
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.52
OPRM1 P35372 1/20 0.52
SIGMAR1 Q99720 1/20 0.52

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
SCHEMBL4367747 0.86 L3MBTL1 (0.50) L3MBTL1NPSR1ALDH1A1GAAHPGD
SCHEMBL13883723 0.84 L3MBTL1 (0.62) L3MBTL1NPSR1ALDH1A1GAAHPGD
SCHEMBL29466675 0.83 L3MBTL1 (0.82) L3MBTL1NPSR1ALDH1A1GAAHPGD
SCHEMBL22319401 0.83 L3MBTL1 (0.82) L3MBTL1NPSR1ALDH1A1GAAHPGD
SCHEMBL3650651 0.81 MEN1 (0.69) L3MBTL1NPSR1ALDH1A1GAAHPGD
SCHEMBL4114974 0.81 CTSD (0.69) ALDH1A1GAAHPGDRAB9AMEN1
SCHEMBL6846935 0.81 RAB9A (0.63) L3MBTL1NPSR1ALDH1A1GAAHPGD
SCHEMBL15334093 0.80 PTGDR2 (0.53) L3MBTL1NPSR1HPGDHTTRAB9A
SCHEMBL16508287 0.80 ALDH1A1 (0.58) L3MBTL1NPSR1ALDH1A1GAAHPGD
SCHEMBL16829424 0.80 HCRTR1 (0.81) L3MBTL1ALDH1A1GAAHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074103-A1 6-PHENYLPYRIMIDINONES AS PIM MODULATORS Exelixis, Inc. (US) 2009-07-01 EP disclosed
WO-2008133955-A1 6-PHENYLPYRIMIDINONES AS PIM MODULATORS EXELIXIS, INC. (US) 2008-11-06 WO disclosed
US-6140352-A FOR AGONIZING THE BETA 3 ADRENERGIC RECEPTOR TO TREAT TYPE II DIABETES AND OBESITY ELI LILLY AND COMPANY (US) 2000-10-31 US disclosed
US-6093735-A TREATMENT OF TYPE II DIABETES AND OBESITY ELI LILLY AND COMPANY (US) 2000-07-25 US disclosed