SCHEMBL4021356

SCHEMBL4021356

COC(=O)C(C(=O)C1CC(C(F)(F)F)C1)c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A2 P23975 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.34

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
SCHEMBL4032283 0.89 GAA (0.43) SLC6A3SLC6A4SLC6A2SMN1; SMN2MEN1
SCHEMBL4021827 0.89 SLC6A3 (0.42) SLC6A3SLC6A4SLC6A2SMN1; SMN2MEN1
SCHEMBL4022629 0.88 SLC6A3 (0.37) SLC6A3SLC6A4ALDH1A1
SCHEMBL4024928 0.84 SLC6A3 (0.43) SLC6A3SLC6A4SLC6A2SMN1; SMN2MEN1
SCHEMBL4022171 0.82 SLC6A3 (0.40) SLC6A3SLC6A4SLC6A2SMN1; SMN2MEN1
SCHEMBL4025663 0.77 DPP4 (0.38) SLC6A3SLC6A4KMT2AALDH1A1
SCHEMBL4064082 0.75 ALDH1A1 (0.56) SLC6A3SLC6A4SLC6A2SMN1; SMN2MEN1
SCHEMBL23509589 0.72 MEN1 (0.42) SLC6A3SLC6A4SLC6A2SMN1; SMN2MEN1
SCHEMBL4021493 0.72 KDM4E (0.38) SLC6A3SMN1; SMN2MEN1KMT2AGAA
SCHEMBL4025010 0.71 MEN1 (0.49) SLC6A3SLC6A4SLC6A2MEN1NPC1

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-2009100403-A1 SUBSTITUTED ARYL PYRIMIDINONES NEUROGEN CORPORATION (US) 2009-08-13 WO disclosed