SCHEMBL4721114

SCHEMBL4721114

COC(=O)CCNc1ccc(S(C)(=O)=O)c(-n2nc(-c3cc(C)cc(-c4cnco4)c3)c3cccnc3c2=O)c1

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
PTK2 Q05397 1/20 0.31
IMPDH2 P12268 1/20 0.30
MMP1 P03956 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
NTRK1 P04629 1/20 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
SCHEMBL4721609 0.93 PTK2 (0.33) NAMPTPTK2IMPDH2MMP1MMP9
SCHEMBL14102007 0.93 IMPDH2 (0.33) NAMPTPTK2IMPDH2NTRK1
SCHEMBL4721371 0.89 PTK2 (0.33) NAMPTPTK2IMPDH2
SCHEMBL4722289 0.87 IMPDH2 (0.36) NAMPTPTK2IMPDH2
SCHEMBL4719259 0.82 L3MBTL1 (0.33) IMPDH2
SCHEMBL4722506 0.81 RIOK2 (0.34)
SCHEMBL4720352 0.81 NAMPT (0.30) NAMPT
SCHEMBL4724113 0.81 MAPT (0.37) NAMPTPTK2IMPDH2
SCHEMBL4720084 0.80 NAMPT (0.33) NAMPTPTK2IMPDH2NTRK1
SCHEMBL4722805 0.79 MAPT (0.40) NAMPTMEN1GAAKMT2A

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed