SCHEMBL8790936

SCHEMBL8790936

CC1(C)CN(c2ccc(F)cc2)C1=O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.81
RAB9A P51151 2/20 0.81
GAA P10253 2/20 0.64
L3MBTL1 Q9Y468 3/20 0.62
POLB P06746 1/20 0.57
ALDH1A1 P00352 2/20 0.51
NSD2 O96028 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
F2 P00734 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD11B1 P28845 1/20 0.45
RECQL P46063 1/20 0.42
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
PGR P06401 1/20 0.41
MGLL Q99685 1/20 0.39

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
SCHEMBL12584934 0.82 SMN1; SMN2 (0.84) SMN1; SMN2RAB9AGAAL3MBTL1POLB
SCHEMBL1208088 0.82 SMN1; SMN2 (0.84) SMN1; SMN2RAB9AGAAL3MBTL1POLB
SCHEMBL13932030 0.81 SMN1; SMN2 (0.81) SMN1; SMN2RAB9AGAAL3MBTL1POLB
SCHEMBL8791216 0.81 SMN1; SMN2 (0.81) SMN1; SMN2RAB9AGAAL3MBTL1POLB
SCHEMBL21786014 0.79 RAB9A (0.50) SMN1; SMN2RAB9AGAAL3MBTL1POLB
SCHEMBL8299157 0.78 GAA (1.00) SMN1; SMN2RAB9AGAAL3MBTL1POLB
SCHEMBL8791412 0.78 RAB9A (0.75) SMN1; SMN2RAB9AGAAL3MBTL1POLB
SCHEMBL14003534 0.77 L3MBTL1 (1.00) SMN1; SMN2RAB9AGAAL3MBTL1POLB
SCHEMBL1208101 0.77 SMN1; SMN2 (0.72) SMN1; SMN2RAB9AGAAL3MBTL1POLB
SCHEMBL9340652 0.75 RAB9A (0.50) SMN1; SMN2RAB9AGAAL3MBTL1POLB

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-0800516-A1 FIBRINOGEN RECEPTOR ANTAGONISTS HAVING SUBSTITUTED (b)-AMINO ACID RESIDUES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME NIPPON STEEL CORPORATION (JP) 1997-10-15 EP disclosed