SCHEMBL8908527

SCHEMBL8908527

[N-]=[N+]=CC(=O)NCC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
EPHX2 P34913 1/20 0.43
FABP5 Q01469 3/20 0.41
FABP7 O15540 2/20 0.41
CASP3 P42574 2/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
POLB P06746 1/20 0.36

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
SCHEMBL29820981 0.80 KMT2A (0.53) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL9081038 0.79 KMT2A (0.49) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL15132492 0.78 KMT2A (0.54) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL7362002 0.76 KMT2A (0.52) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL17665039 0.75 KMT2A (0.62) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL18982241 0.75 KMT2A (0.49) KMT2AEPHX2FABP5FABP7CASP3
Hydrochloric Acid SCHEMBL7357624 0.75 KMT2A (0.51) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL14407142 0.74 KMT2A (0.52) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL30174112 0.74 KMT2A (0.59) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL21661027 0.74 KMT2A (0.50) KMT2AEPHX2FABP5FABP7CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5672605-A ADMINISTERING TO TREAT AUTOIMMUNE DISORDERS, TRANSPLANT REJECTION ABBOTT LABORATORIES (US) 1997-09-30 US disclosed
US-5583139-A Marcolide immunomodulators ABBOTT LABORATORIES (US) 1996-12-10 US disclosed
EP-0729471-A1 SEMISYNTHETIC ANALOGS OF RAPAMYCIN (MACROLIDES) BEING IMMUNOMODULATORS Abbott Laboratories (US) 1996-09-04 EP disclosed
US-5527907-A IMMUNOSUPPRESSANTS ABBOTT LABORATORIES (US) 1996-06-18 US disclosed
WO-1995014023-A1 SEMISYNTHETIC ANALOGS OF RAPAMYCIN (MACROLIDES) BEING IMMUNOMODULATORS ABBOTT LABORATORIES (US) 1995-05-26 WO disclosed