SCHEMBL14023992

SCHEMBL14023992

COCc1cn(-c2ccc(C[C@H](N)CF)cc2)nn1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.51
PTGS2 P35354 2/20 0.46
ROCK2 O75116 1/20 0.46
MIF P14174 2/20 0.45
CTSC P53634 1/20 0.44
RXRA P19793 9/20 0.43
GRIN1 Q05586 9/20 0.43
GRIN2B Q13224 9/20 0.43
P2RX7 Q99572 2/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41

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 0.84 NOTUM (0.50) NOTUMPTGS2MIFP2RX7CA12
SCHEMBL14025100 0.81 PTGS2 (0.40) NOTUMPTGS2MIFRXRAGRIN1
SCHEMBL20026205 0.78 NOTUM (0.49) NOTUMROCK2RXRAGRIN1GRIN2B
SCHEMBL14023943 0.76 MIF (0.48) ROCK2MIFCTSCRXRAGRIN1
SCHEMBL14023958 0.76 NOTUM (0.39) NOTUMPTGS2MIFRXRAGRIN1
SCHEMBL19062813 0.74 SLC6A4 (0.41)
SCHEMBL14024030 0.74 CDC25A (0.37) NOTUMPTGS2MIFRXRAGRIN1
SCHEMBL14025114 0.73 ESRRA (0.40) NOTUMCA12CA1CA2CA9
SCHEMBL20445076 0.73 NOTUM (0.62) NOTUMROCK2MIFRXRAGRIN1
SCHEMBL16479587 0.73 MIF (0.63) NOTUMROCK2MIFRXRAGRIN1

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