SCHEMBL14023943

SCHEMBL14023943

N[C@H](CF)Cc1ccc(-n2cc(C3CC3)nn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.48
CA9 Q16790 6/20 0.47
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
CA12 O43570 5/20 0.47
CTSC P53634 2/20 0.44
JAK2 O60674 2/20 0.43
ROCK2 O75116 2/20 0.43
GSK3B P49841 2/20 0.43
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
DPP4 P27487 3/20 0.40
USP1 O94782 2/20 0.38
CTSK P43235 1/20 0.35
KCNH2 Q12809 2/20 0.34
RXRA P19793 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33

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
SCHEMBL14025091 0.77 NOTUM (0.50) MIFCA9CA1CA2CA12
SCHEMBL14023992 0.76 NOTUM (0.51) MIFCA9CA1CA2CA12
SCHEMBL14025114 0.74 ESRRA (0.40) CA9CA1CA2CA12CA4
SCHEMBL14023958 0.74 NOTUM (0.39) MIFDPP4RXRAGRIN1GRIN2B
SCHEMBL22862590 0.74 MIF (0.57) MIFCA9CA1CA2CA12
SCHEMBL14025100 0.74 PTGS2 (0.40) MIFCA9CA1CA2CA12
SCHEMBL25045293 0.74 MIF (0.56) MIFCA9CA1CA2CA12
SCHEMBL14024030 0.72 CDC25A (0.37) MIFDPP4RXRAGRIN1GRIN2B
SCHEMBL15060931 0.71 CA12 (0.56) MIFCA9CA1CA2CA12
SCHEMBL13527308 0.70 BCHE (0.56) MIFCA9CA1CA2CA12

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