SCHEMBL4858554

SCHEMBL4858554

NNc1nc(C(=O)OCC2c3ccccc3-c3ccccc32)ccc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
FABP5 Q01469 3/20 0.40
FABP7 O15540 2/20 0.40
EPHX2 P34913 1/20 0.39
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MDM4 O15151 2/20 0.36
TP53 P04637 2/20 0.36
CASP3 P42574 2/20 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
SCHEMBL3562350 0.83 KMT2A (0.38) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL346078 0.80 KMT2A (0.44) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL9171084 0.77 KMT2A (0.45) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL1251666 0.76 KMT2A (0.44) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL28755697 0.75 FABP5 (0.45) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL30179376 0.72 MDM4 (0.46) KMT2AFABP5FABP7EPHX2MDM4
SCHEMBL3195566 0.72 FABP5 (0.47) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL1250338 0.72 FABP5 (0.47) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL1157567 0.72 FABP5 (0.49) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL30662743 0.72 FABP5 (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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402385-B2 Radiolabeled antibodies for treatment of tumors ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2008-07-22 US disclosed
US-20060039858-A1 Radiolabeled antibodies and peptides for treatment of tumors NATIONAL INSTITUTES OF HEALTH 2006-02-23 US disclosed
US-20040156780-A1 Radiolabeled antibodies for treatment of tumors ALBERT EINSTEIN COLLEGE OF MEDICINE 2004-08-12 US disclosed