SCHEMBL7077495

SCHEMBL7077495

NC(=O)c1ccccc1Cc1cc2ccccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.51
LOXL2 Q9Y4K0 1/20 0.50
F2 P00734 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
PCSK9 Q8NBP7 6/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
PARP1 P09874 1/20 0.43
FLT3 P36888 1/20 0.42
MAPT P10636 1/20 0.41
DAO P14920 1/20 0.41
HPGD P15428 1/20 0.41
SRD5A2 P31213 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NLRP3 Q96P20 1/20 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
SCHEMBL29990403 0.87 MTNR1A (0.51) AHRLOXL2MTNR1AMTNR1BKDM4E
SCHEMBL1382512 0.83 CHEK2 (0.45) AHRLOXL2F2PCSK9KDM4E
SCHEMBL1383289 0.82 NPC1 (0.44) AHRLOXL2F2PCSK9KDM4E
SCHEMBL28750014 0.80 TSHR (0.50) AHRMTNR1AMTNR1BPCSK9KDM4E
SCHEMBL31672301 0.76 AHR (0.62) AHRLOXL2F2MTNR1AMTNR1B
SCHEMBL29403791 0.75 LOXL2 (0.69) AHRLOXL2MTNR1AMTNR1BPCSK9
SCHEMBL7134588 0.75 TSHR (0.54) KDM4EALDH1A1GAAPARP1MAPT
SCHEMBL28338445 0.75 LOXL2 (0.69) AHRLOXL2MTNR1AMTNR1BPCSK9
SCHEMBL401081 0.75 LOXL2 (0.69) AHRLOXL2MTNR1AMTNR1BPCSK9
SCHEMBL630523 0.74 SIRT1 (0.64) LOXL2MTNR1AMTNR1BKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1225894-A4 FAB I INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-01-08 EP disclosed
EP-1225894-A1 FAB I INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-07-31 EP disclosed
WO-2001026652-A1 FAB I INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-19 WO disclosed