SCHEMBL9081038

SCHEMBL9081038

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
FABP5 Q01469 3/20 0.48
FABP7 O15540 2/20 0.48
EPHX2 P34913 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CASP3 P42574 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTR2A P28223 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL28090508 0.82 KMT2A (0.52) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL15981181 0.81 KMT2A (0.58) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL27794412 0.81 KMT2A (0.55) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL68446 0.81 KMT2A (0.51) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL27895930 0.79 KMT2A (0.50) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL8908527 0.79 KMT2A (0.45) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL24616691 0.78 HCAR2 (0.53) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL16586266 0.78 KMT2A (0.49) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL29396065 0.78 HCAR2 (0.53) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL15304743 0.78 KMT2A (0.49) KMT2AFABP5FABP7EPHX2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729471-A1 SEMISYNTHETIC ANALOGS OF RAPAMYCIN (MACROLIDES) BEING IMMUNOMODULATORS Abbott Laboratories (US) 1996-09-04 EP disclosed
EP-0689545-A4 MACROCYCLIC AMIDE AND UREA IMMUNOMODULATORS ABBOTT LAB (US) 1996-04-24 EP disclosed
EP-0689545-A1 MACROCYCLIC AMIDE AND UREA IMMUNOMODULATORS ABBOTT LABORATORIES (US) 1996-01-03 EP disclosed
WO-1995014023-A1 SEMISYNTHETIC ANALOGS OF RAPAMYCIN (MACROLIDES) BEING IMMUNOMODULATORS ABBOTT LABORATORIES (US) 1995-05-26 WO disclosed
WO-1994021642-A1 MACROCYCLIC AMIDE AND UREA IMMUNOMODULATORS ABBOTT LABORATORIES (US) 1994-09-29 WO disclosed
WO-1993004680-A1 MACROCYCLIC IMMUNOMODULATORS ABBOTT LABORATORIES (US) 1993-03-18 WO disclosed