SCHEMBL14980914

SCHEMBL14980914

O=C1CN[C@H](c2ccccc2)[C@H](P)O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
CA2 P00918 2/20 0.36
GBA1 P04062 1/20 0.36
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
GAA P10253 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
GFER P55789 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
AR P10275 1/20 0.33
CYP19A1 P11511 1/20 0.33
MAOB P27338 1/20 0.33
CYP2D6 P10635 1/20 0.33
LMNA P02545 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
SCHEMBL3706077 0.82 CYP2C9 (0.42) SMN1; SMN2CA2GBA1KMT2AMEN1
SCHEMBL7306016 0.82 CYP2C9 (0.42) SMN1; SMN2CA2GBA1KMT2AMEN1
SCHEMBL249120 0.82 CYP2C9 (0.42) SMN1; SMN2CA2GBA1KMT2AMEN1
SCHEMBL12524998 0.82 CYP2C9 (0.42) SMN1; SMN2CA2GBA1KMT2AMEN1
SCHEMBL12525029 0.82 CYP2C9 (0.42) SMN1; SMN2CA2GBA1KMT2AMEN1
SCHEMBL23841973 0.77 CYP2C9 (0.41) CA2KMT2ACYP2C9CYP2C19KDM4E
SCHEMBL135940 0.74 CA2 (0.40) SMN1; SMN2CA2CYP2C9CYP2C19KDM4E
SCHEMBL737244 0.64 PRCP (0.46) SMN1; SMN2CA2KMT2AMEN1AR
SCHEMBL8107878 0.64 MAOB (0.42) CA2KMT2AMEN1KDM4EHSD17B10
SCHEMBL739240 0.64 PRCP (0.46) SMN1; SMN2CA2KMT2AMEN1AR

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-2063887-B1 NEW SMALL MOLECULE INHIBITORS OF MDM2 AND THE USES THEREOF UNIV MICHIGAN (US) 2013-05-29 EP disclosed