SCHEMBL6027115

SCHEMBL6027115

O=C(O)c1cnc2cc(C(F)(F)F)ccc2c1OCCCCCOc1coc(CN2CCOCC2)cc1=O

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAC1 P63000 3/20 0.66
RAC2 P15153 1/20 0.66
RAC3 P60763 1/20 0.66
PDK2 Q15119 2/20 0.38
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
SCN9A Q15858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
LDHA P00338 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL6025958 0.92 RAC1 (0.55) RAC1RAC2RAC3PDK2KMT2A
SCHEMBL1462439 0.91 RAC1 (0.62) RAC1RAC2RAC3KMT2ATHRB
SCHEMBL6026588 0.86 RAC1 (0.61) RAC1RAC2RAC3PDK2KMT2A
SCHEMBL4161227 0.84 RAC1 (0.81) RAC1RAC2RAC3PDK2LDHA
SCHEMBL1461454 0.83 RAC1 (0.53) RAC1RAC2RAC3KMT2AL3MBTL1
SCHEMBL1460427 0.81 RAC1 (0.75) RAC1RAC2RAC3PDK2KMT2A
SCHEMBL6525065 0.80 RAC1 (0.67) RAC1RAC2RAC3PDK2KMT2A
SCHEMBL1461351 0.79 RAC1 (1.00) RAC1RAC2RAC3PDK2LDHA
SCHEMBL30798860 0.79 RAC1 (1.00) RAC1RAC2RAC3PDK2LDHA
SCHEMBL1461798 0.79 RAC1 (0.73) RAC1RAC2RAC3PDK2ATM

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-1597253-B1 COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES, RETINOPATHIES AND ARTHRITIS EXONHIT THERAPEUTICS SA (FR) 2006-08-09 EP claimed