SCHEMBL669140

SCHEMBL669140

CCc1noc(CCNc2cc(C#CC(C)(C)C)sc2C(=O)OC)n1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 8/20 0.36
MAPK14 Q16539 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALOX15 P16050 1/20 0.32
APOBEC3A P31941 1/20 0.32
HSD17B10 Q99714 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL669157 0.91 RAF1 (0.37) RAF1MAPK14KDM4EALOX15APOBEC3A
SCHEMBL669934 0.80 RAF1 (0.34) RAF1MAPK14
SCHEMBL669158 0.76 CYP2E1 (0.33) RAF1KDM4EALOX15APOBEC3AHSD17B10
SCHEMBL669139 0.76 CYP2E1 (0.32) RAF1
SCHEMBL1441015 0.75 RAF1 (0.33) RAF1MAPK14
SCHEMBL15512298 0.73 CYP2E1 (0.51)
SCHEMBL15511306 0.73 CYP2E1 (0.51)
SCHEMBL1441006 0.72 MAPK14 (0.32) RAF1MAPK14
SCHEMBL669791 0.71 KDM4E (0.40) KDM4EALOX15HSD17B10L3MBTL1
SCHEMBL670080 0.70 IDH1 (0.33) RAF1

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-2606041-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRIDAE VIRAL INFECTIONS Vertex Pharmaceuticals Incorporated (US) 2013-06-26 EP disclosed
WO-2012024363-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRIDAE VIRAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-23 WO disclosed