SCHEMBL10149864

SCHEMBL10149864

C=CCCCNC(=C)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
EPHX2 P34913 1/20 0.38
FABP5 Q01469 3/20 0.37
FABP7 O15540 2/20 0.37
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CASP3 P42574 2/20 0.35
HTR2A P28223 1/20 0.33

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
SCHEMBL13419384 0.88 KMT2A (0.50) KMT2AEPHX2FABP5FABP7CA1
SCHEMBL7402885 0.86 KMT2A (0.66) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL7403546 0.82 KMT2A (0.68) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL6285024 0.81 KMT2A (0.70) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL17210447 0.81 KMT2A (0.50) KMT2AEPHX2FABP5FABP7CA1
SCHEMBL7402295 0.77 KMT2A (0.62) KMT2AEPHX2FABP5FABP7CASP3
SCHEMBL13423789 0.77 KMT2A (0.44) KMT2AEPHX2CASP3
SCHEMBL20564271 0.75 KMT2A (0.45) KMT2AFABP5FABP7CASP3
SCHEMBL20564268 0.75 KMT2A (0.45) KMT2AFABP5FABP7CASP3
SCHEMBL17935567 0.74 KMT2A (0.47) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011044498-A9 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2012-02-09 WO disclosed
WO-2010132760-A9 ANTIBACTERIAL DERIVATIVES OF TOBRAMYCIN ACHAOGEN, INC. (US) 2011-11-03 WO disclosed
WO-2010132765-A9 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2011-10-13 WO disclosed
WO-2011044498-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2011-04-14 WO disclosed
WO-2010132760-A1 ANTIBACTERIAL DERIVATIVES OF TOBRAMYCIN ACHAOGEN, INC. (US) 2010-11-18 WO disclosed
WO-2010132770-A1 TREATMENT OF KLEBSIELLA PNEUMONIAE INFECTIONS WITH ANTIBACTERIAL AMINOGLYCOSIDE COMPOUNDS ACHAOGEN, INC. (US) 2010-11-18 WO disclosed
WO-2010132765-A2 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-11-18 WO disclosed
WO-2009067692-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2009-05-28 WO disclosed