SCHEMBL6430828

SCHEMBL6430828

O=C=NCc1ccc(C(=O)OCc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.63
TDP1 Q9NUW8 4/20 0.63
SLC6A2 P23975 1/20 0.63
SLC6A3 Q01959 1/20 0.63
LMNA P02545 3/20 0.62
MAPT P10636 5/20 0.55
ALDH1A1 P00352 4/20 0.55
HPGD P15428 1/20 0.55
MEN1 O00255 1/20 0.54
RAB9A P51151 3/20 0.50
GAA P10253 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 2/20 0.48
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
TSHR P16473 1/20 0.46
HSP90AA1 P07900 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
SCHEMBL312287 0.82 KMT2A (0.92) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL8775686 0.81 KMT2A (0.65) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL9710250 0.80 KMT2A (0.69) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL8961446 0.79 KMT2A (0.79) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL3083135 0.79 KMT2A (0.79) KMT2ATDP1SLC6A2SLC6A3LMNA
Benzyl Benzoate SCHEMBL901058 0.79 KMT2A (1.00) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL5085718 0.79 KMT2A (0.92) KMT2ATDP1SLC6A2SLC6A3LMNA
Benzyl Benzoate SCHEMBL8010992 0.79 KMT2A (1.00) KMT2ATDP1SLC6A2SLC6A3LMNA
Benzyl Benzoate SCHEMBL3038 0.79 KMT2A (1.00) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL704543 0.78 KMT2A (0.71) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0927049-B1 LABELLED ELASTASE INHIBITORS AMERSHAM PLC (GB) 2005-05-11 EP disclosed
US-6375926-B1 HUMAN LEUCOCYTE ELASTASE (HLE) INHIBITOR LABELLED WITH A DETECTABLE MOIETY WHERE THE INHIBITOR IS SYNTHETIC AND THE DETECTABLE MOIETY IS CHOSEN FROM A RADIOACTIVE ISOTOPE, A PARAMAGNETIC ION, A RADIOPAQUE COMPOUND AND AN ULTRASOUND AMERSHAM INTERNATIONAL PLC 2002-04-23 US disclosed
EP-0927049-A2 LABELLED ELASTASE INHIBITORS AMERSHAM INTERNATIONAL plc (GB) 1999-07-07 EP disclosed
WO-1998010800-A2 LABELLED ELASTASE INHIBITORS AMERSHAM INTERNATIONAL PLC (GB) 1998-03-19 WO disclosed