SCHEMBL1670879

SCHEMBL1670879

O=C(O)NCc1cccc(C2CCN(C(=O)c3cccc(NC(=O)C(O)CO)c3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
TSHR P16473 1/20 0.44
PARP14 Q460N5 1/20 0.41
DRD2 P14416 2/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL1668823 0.88 TPSAB1 (0.48) KMT2ATSHRPARP14
SCHEMBL13967564 0.88 KMT2A (0.52) KMT2ATSHRDRD2NPC1
SCHEMBL1668585 0.88 KMT2A (0.44) KMT2ATSHRDRD2
SCHEMBL14879836 0.81 MGLL (0.51) KMT2APARP14
SCHEMBL1668837 0.81 MGLL (0.56)
SCHEMBL1668846 0.80 PARP14 (0.46) KMT2ATSHRPARP14NPC1
SCHEMBL1668899 0.78 EGLN1 (0.46) PARP14
SCHEMBL14898131 0.77 KMT2A (0.44) KMT2ATSHRDRD2
SCHEMBL1668865 0.76 TPSAB1 (0.51) KMT2ATSHRPARP14
SCHEMBL14879880 0.76 KMT2A (0.41) KMT2ATSHRDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2485678-A1 COFERONS AND METHODS OF MAKING AND USING THEM Cornell University (US) 2012-08-15 EP disclosed
WO-2011043817-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2011-04-14 WO disclosed