SCHEMBL14023958

SCHEMBL14023958

CC(O)c1cn(-c2ccc(C[C@H](N)CF)cc2)nn1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.39
PTGS2 P35354 2/20 0.36
MIF P14174 3/20 0.36
CD74 P04233 1/20 0.34
CDC25A P30304 1/20 0.34
CDC25B P30305 1/20 0.34
CDC25C P30307 1/20 0.34
DPP4 P27487 1/20 0.33
ESRRA P11474 2/20 0.33
P2RX7 Q99572 1/20 0.32
ALDH1A1 P00352 1/20 0.32
DDX3X O00571 3/20 0.32
RXRA P19793 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 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
SCHEMBL14024030 0.85 CDC25A (0.37) NOTUMPTGS2MIFCD74CDC25A
SCHEMBL14025114 0.77 ESRRA (0.40) NOTUMESRRA
SCHEMBL14025091 0.77 NOTUM (0.50) NOTUMPTGS2MIFCD74DPP4
SCHEMBL14023992 0.76 NOTUM (0.51) NOTUMPTGS2MIFP2RX7RXRA
SCHEMBL14023943 0.74 MIF (0.48) MIFDPP4RXRAGRIN1GRIN2B
SCHEMBL14025100 0.74 PTGS2 (0.40) NOTUMPTGS2MIFDPP4P2RX7
SCHEMBL9634370 0.73 NOTUM (0.50) NOTUMMIFCD74ESRRAP2RX7
SCHEMBL14023881 0.70 NOTUM (0.51) NOTUM
SCHEMBL17978569 0.68 HTT (0.46) NOTUMPTGS2ESRRA
SCHEMBL20046658 0.67 RXRA (0.41) NOTUMPTGS2MIFCD74ESRRA

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-2008143729-A2 MACROLIDE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2008-11-27 WO disclosed