SCHEMBL7435220

SCHEMBL7435220

CC(C)(C)OC(=O)NCc1ccc2c(c1)[C]CS2(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
GLS O94925 2/20 0.40
GAA P10253 1/20 0.39
KDM4A O75164 1/20 0.39
HDAC1 Q13547 1/20 0.39
FPR3 P25089 1/20 0.38
FPR2 P25090 1/20 0.38
GRM2 Q14416 1/20 0.38
BRD4 O60885 2/20 0.38
IDO1 P14902 1/20 0.37
TSHR P16473 1/20 0.37
CREBBP Q92793 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
SDCBP O00560 1/20 0.37
SDC2 P34741 1/20 0.37

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
SCHEMBL17171456 0.77 GPR119 (0.46) NAMPTL3MBTL1GLSGAAKDM4A
SCHEMBL7438342 0.75 SMN1; SMN2 (0.48) NAMPTL3MBTL1GLSGAAKDM4A
SCHEMBL3180689 0.74 L3MBTL1 (0.61) NAMPTL3MBTL1GAAKDM4AHDAC1
SCHEMBL15486014 0.73 L3MBTL1 (0.42) NAMPTL3MBTL1GLSGAAKDM4A
SCHEMBL7428709 0.72 GLS (0.39) NAMPTL3MBTL1GLSGAAKDM4A
SCHEMBL13055397 0.71 KDM4A (0.51) NAMPTL3MBTL1GLSGAAKDM4A
SCHEMBL5749285 0.71 ERCC1 (0.56) NAMPTL3MBTL1GAAHDAC1CA1
SCHEMBL14907948 0.70 GAA (0.52) NAMPTL3MBTL1GLSGAAKDM4A
SCHEMBL30193348 0.70 NLRP3 (0.52) NAMPTL3MBTL1GAAKDM4AGRM2
SCHEMBL1615764 0.70 NLRP3 (0.52) NAMPTL3MBTL1GAAKDM4AGRM2

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-0375451-A2 Compounds having a renin-inhibiting activity BEECHAM GROUP PLC (GB) 1990-06-27 EP disclosed