SCHEMBL4556459

SCHEMBL4556459

NC(=O)c1c(C[CH]C(=O)NCc2ccc([AsH2])nc2)ccc(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.33
VNN1 O95497 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
RECQL P46063 1/20 0.31
USP2 O75604 1/20 0.31
MLLT1 Q03111 2/20 0.30

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
SCHEMBL3153349 0.88 NAMPT (0.40) NPSR1USP2
SCHEMBL4556652 0.83 CDC7 (0.31) RECQLUSP2
SCHEMBL3140031 0.77 NAMPT (0.39) VNN1CA1CA2CA9
SCHEMBL3149495 0.76 NAMPT (0.40) VNN1USP2
SCHEMBL3139954 0.73 F2 (0.42) VNN1
SCHEMBL3153398 0.72 EPHX2 (0.39) USP2
SCHEMBL3144560 0.71 NAMPT (0.40) RECQLUSP2
SCHEMBL3144720 0.69 HDAC1 (0.39) VNN1USP2
SCHEMBL3149479 0.69 EPHX2 (0.39)
SCHEMBL3155161 0.69 NAMPT (0.40) VNN1

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
WO-2009133348-A1 AMINOPYRIDINE DERIVATIVES VANTIA LIMITED (GB) 2009-11-05 WO disclosed