SCHEMBL7538405

SCHEMBL7538405

CCOC(=O)c1ccc(C(C)=NNCc2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.66
MAPT P10636 4/20 0.57
NAMPT P43490 1/20 0.57
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
GAA P10253 2/20 0.50
HTT P42858 1/20 0.50
ALDH1A1 P00352 3/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
ALOX12 P18054 1/20 0.47
CA12 O43570 1/20 0.46
ESR1 P03372 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
ESR2 Q92731 1/20 0.46
CA14 Q9ULX7 1/20 0.46

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
SCHEMBL23392557 0.81 LMNA (0.55) SMN1; SMN2MAPTMEN1KMT2ARAB9A
SCHEMBL23392559 0.81 LMNA (0.55) SMN1; SMN2MAPTMEN1KMT2ARAB9A
SCHEMBL12711610 0.81 LMNA (0.61) SMN1; SMN2MAPTMEN1KMT2ARAB9A
SCHEMBL7536709 0.81 LMNA (0.61) SMN1; SMN2MAPTMEN1KMT2ARAB9A
SCHEMBL7531135 0.81 MEN1 (0.64) SMN1; SMN2MAPTMEN1KMT2ARAB9A
SCHEMBL5068509 0.80 CA1 (0.75) SMN1; SMN2MAPTNAMPTMEN1KMT2A
SCHEMBL2643331 0.80 CA1 (0.54) SMN1; SMN2MAPTMEN1KMT2ARAB9A
SCHEMBL2643329 0.80 CA1 (0.54) SMN1; SMN2MAPTMEN1KMT2ARAB9A
SCHEMBL7196823 0.80 SMN1; SMN2 (0.63) SMN1; SMN2MAPTMEN1KMT2ARAB9A
SCHEMBL5797412 0.80 SMN1; SMN2 (0.63) SMN1; SMN2MAPTMEN1KMT2ARAB9A

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-0912467-B1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE SA (FR) 2002-04-24 EP claimed