SCHEMBL14743333

SCHEMBL14743333

COc1ccc(NC(=O)C[S+]([O-])c2ccc(F)c(Cl)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
MAPT P10636 3/20 0.59
NPC1 O15118 1/20 0.59
HTT P42858 1/20 0.59
RAB9A P51151 1/20 0.59
ALDH1A1 P00352 7/20 0.49
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
TSHR P16473 2/20 0.48
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL14744419 1.00 SMN1; SMN2 (0.59) SMN1; SMN2MAPTNPC1HTTRAB9A
SCHEMBL14743335 1.00 SMN1; SMN2 (0.59) SMN1; SMN2MAPTNPC1HTTRAB9A
SCHEMBL14743997 0.90 ALDH1A1 (0.50) SMN1; SMN2MAPTNPC1HTTRAB9A
SCHEMBL14743203 0.84 KMT2A (0.53) SMN1; SMN2MAPTNPC1HTTRAB9A
SCHEMBL14743109 0.81 CYP1A2 (0.48) SMN1; SMN2MAPTNPC1HTTRAB9A
SCHEMBL14743108 0.81 CYP1A2 (0.48) SMN1; SMN2MAPTNPC1HTTRAB9A
SCHEMBL14743319 0.81 CYP1A2 (0.48) SMN1; SMN2MAPTNPC1HTTRAB9A
SCHEMBL14743445 0.80 NPC1 (0.54) SMN1; SMN2MAPTNPC1HTTRAB9A
SCHEMBL14743287 0.80 MTNR1B (0.54) SMN1; SMN2MAPTNPC1HTTRAB9A
SCHEMBL14743269 0.78 MEN1 (0.49) SMN1; SMN2MAPTNPC1HTTRAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2758370-A1 PARP INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-07-30 EP claimed
WO-2013030205-A1 PARP INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 WO claimed
EP-2758370-A1 PARP INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-07-30 EP disclosed
WO-2013030205-A1 PARP INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 WO disclosed
WO-2013030205-A1 PARP INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 WO disclosed