SCHEMBL4553701

SCHEMBL4553701

CC(C)(C)N(C(=O)O)c1ccc(CC(=O)Nc2ccc(SC(F)F)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.66
LMNA P02545 5/20 0.66
GAA P10253 4/20 0.66
RAB9A P51151 3/20 0.66
NPC1 O15118 2/20 0.66
MEN1 O00255 4/20 0.63
MAPT P10636 4/20 0.63
KMT2A Q03164 4/20 0.63
HTT P42858 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MAP4K4 O95819 1/20 0.53
ABL1 P00519 1/20 0.53
NTRK1 P04629 1/20 0.53
LCK P06239 1/20 0.53
FYN P06241 1/20 0.53
CSF1R P07333 1/20 0.53
RET P07949 1/20 0.53
IGF1R P08069 1/20 0.53
PDGFRB P09619 1/20 0.53
FGFR1 P11362 1/20 0.53

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
SCHEMBL2284674 0.84 MAPT (0.70) SMN1; SMN2LMNAGAARAB9ANPC1
SCHEMBL15520341 0.81 SMN1; SMN2 (0.82) SMN1; SMN2LMNAGAARAB9ANPC1
SCHEMBL2284438 0.80 MEN1 (0.76) SMN1; SMN2LMNAGAARAB9ANPC1
SCHEMBL2287803 0.80 MEN1 (0.67) SMN1; SMN2LMNAGAARAB9ANPC1
SCHEMBL2281683 0.79 MEN1 (0.66) SMN1; SMN2LMNAGAARAB9ANPC1
SCHEMBL2287139 0.78 MEN1 (0.76) SMN1; SMN2LMNAGAARAB9ANPC1
Trifluoroacetic Acid SCHEMBL2284572 0.77 LMNA (0.69) SMN1; SMN2LMNAGAARAB9ANPC1
SCHEMBL2285752 0.76 KMT2A (0.69) SMN1; SMN2LMNAGAARAB9ANPC1
Formic Acid SCHEMBL4398916 0.76 MEN1 (0.69) SMN1; SMN2LMNAGAARAB9ANPC1
SCHEMBL2285379 0.76 MEN1 (0.69) SMN1; SMN2LMNAGAARAB9ANPC1

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-2119476-A2 Amide derivatives as positive allosteric modulators and methods of use thereof ABBOTT LABORATORIES (US) 2009-11-18 EP claimed