SCHEMBL11538165

SCHEMBL11538165

COc1ccc(-n2c(=O)cc(OC(C)=O)c3ccccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 6/20 0.49
LMNA P02545 2/20 0.49
EDNRA P25101 1/20 0.46
HCRTR1 O43613 1/20 0.46
BACE1 P56817 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HTT P42858 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 1/20 0.44
HIF1A Q16665 1/20 0.44
PPARG P37231 1/20 0.43
MAPK1 P28482 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL11540447 0.89 POLB (0.45) NPSR1POLBMAPTLMNAMEN1
SCHEMBL11540274 0.88 NPSR1 (0.47) NPSR1MAPTKMT2AHTTKDM4E
SCHEMBL11538126 0.86 MAPT (0.58) NPSR1POLBMAPTLMNAEDNRA
SCHEMBL11540070 0.86 NPSR1 (0.46) NPSR1MAPTLMNAKMT2AHTT
SCHEMBL11542615 0.86 NPSR1 (0.46) NPSR1MEN1KMT2AHTT
SCHEMBL11541055 0.86 NPSR1 (0.46) NPSR1POLBMAPTLMNAMEN1
SCHEMBL11542917 0.84 POLB (0.51) NPSR1POLBMAPTBACE1MEN1
SCHEMBL11539823 0.83 BACE1 (0.49) NPSR1MAPTBACE1MEN1KMT2A
SCHEMBL11540561 0.81 TSHR (0.45) MEN1KMT2AHTT
SCHEMBL11544557 0.80 MAPT (0.59) NPSR1POLBMAPTLMNAEDNRA

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
US-4168312-A Quinolone derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1979-09-18 US claimed
US-4168312-A Quinolone derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1979-09-18 US disclosed