SCHEMBL7478408

SCHEMBL7478408

O=C(OCc1ccccc1)c1ccc(ON2CCC2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
TDP1 Q9NUW8 3/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A3 Q01959 1/20 0.55
LMNA P02545 3/20 0.55
MAPT P10636 4/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
CHRNB2 P17787 1/20 0.47
CHRNA5 P30532 1/20 0.47
CHRNA7 P36544 1/20 0.47
CHRNA4 P43681 1/20 0.47
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 1/20 0.45
NAAA Q02083 1/20 0.44
SRD5A1 P18405 1/20 0.44
SRD5A2 P31213 1/20 0.44
PRKDC P78527 1/20 0.44

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
SCHEMBL7478405 0.80 ALDH1A1 (0.51) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL9518321 0.77 KMT2A (0.73) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL7418898 0.77 KMT2A (0.49) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL312287 0.77 KMT2A (0.92) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL28881004 0.76 KMT2A (0.76) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL10823522 0.76 KMT2A (0.76) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL406877 0.75 KMT2A (0.52) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL10344103 0.74 KMT2A (0.73) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL9696121 0.74 KMT2A (0.73) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL50807 0.74 KMT2A (0.73) KMT2ATDP1SLC6A2SLC6A3LMNA

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
EP-0858460-A1 PROCESS FOR PREPARING SUBSTITUTED AZETIDINONES Merck & Co., Inc. (US) 1998-08-19 EP disclosed
WO-1997016448-A1 PROCESS FOR PREPARING SUBSTITUTED AZETIDINONES MERCK & CO., INC. (US) 1997-05-09 WO disclosed