SCHEMBL5553528

SCHEMBL5553528

Cc1cc(N)c2cc(OC(=O)Nc3ccc(NC(=O)c4ccc(Cl)c(S(N)(=O)=O)c4)cc3)ccc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
STAT3 P40763 2/20 0.52
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
OPRL1 P41146 1/20 0.45
KMT2A Q03164 2/20 0.44
MMP9 P14780 2/20 0.44
APAF1 O14727 1/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
UBE2N P61088 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.44
MMP1 P03956 1/20 0.44
ALOX15 P16050 1/20 0.44
BLM P54132 1/20 0.44
GNG2 P59768 1/20 0.44

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
SCHEMBL3238192 0.90 CA1 (0.60) CA1CA2STAT3NPC1RAB9A
SCHEMBL5553436 0.81 OPRL1 (0.51) OPRL1KMT2AMMP9APAF1USP2
SCHEMBL5559915 0.81 MMP9 (0.49) KMT2AMMP9MEN1MMP1ALOX15
SCHEMBL5559022 0.81 MMP9 (0.52) OPRL1KMT2AMMP9MEN1MMP1
SCHEMBL5558922 0.79 MMP9 (0.51) OPRL1KMT2AMMP9MEN1MMP1
SCHEMBL5553492 0.79 MMP9 (0.46) KMT2AMMP9MEN1MMP1ALOX15
SCHEMBL5558063 0.78 NPC1 (0.52) NPC1RAB9AKMT2AMMP9MMP1
SCHEMBL5558128 0.78 CYP3A4 (0.52) KMT2AMMP9MMP1
SCHEMBL5558153 0.77 OPRL1 (0.54) NPC1RAB9AOPRL1MMP9MAPT
SCHEMBL5558427 0.77 MMP9 (0.49) NPC1RAB9AOPRL1KMT2AMMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1509516-B1 INHIBITORS OF THE GPIB -VWF INTERACTION, THEIR PREPARATION AND USE SANOFI AVENTIS DEUTSCHLAND (DE) 2007-01-31 EP claimed