SCHEMBL4370883

SCHEMBL4370883

N#C/N=C(/NCCCC[C@@H](NS(=O)(=O)c1ccc(-c2cccc(F)c2)nc1)C(=O)NO)NCCN1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 2/20 0.37
MMP1 P03956 3/20 0.36
ADAM17 P78536 2/20 0.36
ADAMTS4 O75173 1/20 0.36
ADAMTS1 Q9UHI8 1/20 0.36
ADAMTS7 Q9UKP4 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
TSHR P16473 1/20 0.36
MAP4K4 O95819 2/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
CNR2 P34972 1/20 0.35
PKM P14618 1/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MET P08581 1/20 0.35
CYP3A4 P08684 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MMP2 P08253 3/20 0.34

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
SCHEMBL1800984 0.87 ADAM17 (0.40) MMP1ADAM17ADAMTS4ADAMTS1ADAMTS7
SCHEMBL1798434 0.85 ADAM17 (0.43) MMP1ADAM17ADAMTS4ADAMTS1ADAMTS7
SCHEMBL1802616 0.85 SIRT5 (0.41) MMP1ADAM17ADAMTS4ADAMTS1ADAMTS7
SCHEMBL11989266 0.85 SIRT5 (0.41) MMP1ADAM17ADAMTS4ADAMTS1ADAMTS7
SCHEMBL1798298 0.84 ADAM17 (0.41) MMP1ADAM17ADAMTS4ADAMTS1ADAMTS7
SCHEMBL1797052 0.83 F2 (0.37) WNT3AMAP4K4ALDH1A1KDM4ECNR2
SCHEMBL4381231 0.81 BMP1 (0.43) MMP1ADAM17KMT2AMMP2MMP9
SCHEMBL4372679 0.76 MMP2 (0.47) MMP1ADAM17ADAMTS4ADAMTS1ADAMTS7
SCHEMBL4372697 0.75 MMP2 (0.46) MMP1ADAM17ADAMTS4ADAMTS1ADAMTS7
SCHEMBL7174227 0.74 CA2 (0.34) WNT3AMMP1ADAM17ADAMTS4ADAMTS1

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-1461313-B1 HUMAN ADAM-10 INHIBITORS EXELIXIS INC (US) 2009-08-05 EP disclosed