SCHEMBL30187451

SCHEMBL30187451

FC(F)(F)Oc1ccc(Nc2ccc3ccccc3n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
HTT P42858 1/20 0.59
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
MEN1 O00255 1/20 0.56
MAPT P10636 1/20 0.56
KMT2A Q03164 1/20 0.56
DHFR P00374 2/20 0.55
KCNH2 Q12809 2/20 0.48
SCN5A Q14524 2/20 0.48
SCN9A Q15858 2/20 0.48
EPHX2 P34913 1/20 0.46
CTSC P53634 1/20 0.45
NCF1 P14598 1/20 0.45
IGF1R P08069 2/20 0.45
PLK1 P53350 1/20 0.45
PDE10A Q9Y233 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL1702197 1.00 SMN1; SMN2 (0.59) SMN1; SMN2HTTNPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL13518567 0.99 SMN1; SMN2 (0.57) SMN1; SMN2HTTNPC1RAB9AMEN1
SCHEMBL1702113 0.85 IGF1R (0.61) SMN1; SMN2HTTNPC1RAB9AMEN1
SCHEMBL1702887 0.81 PDGFRB (0.62) SMN1; SMN2NPC1RAB9AMEN1MAPT
SCHEMBL1705284 0.81 DHFR (0.54) SMN1; SMN2HTTNPC1RAB9AMEN1
SCHEMBL1702586 0.80 RAB9A (0.61) SMN1; SMN2HTTNPC1RAB9AMEN1
SCHEMBL31098987 0.80 RAB9A (0.61) SMN1; SMN2HTTNPC1RAB9AMEN1
SCHEMBL1702296 0.80 SCN9A (0.52) SMN1; SMN2NPC1RAB9AMEN1MAPT
SCHEMBL30764813 0.79 NPC1 (0.55) SMN1; SMN2HTTNPC1RAB9AMEN1
SCHEMBL21617086 0.79 NPC1 (0.55) SMN1; SMN2HTTNPC1RAB9AMEN1

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-3645029-B1 TREATMENTS TO ELIMINATE HIV RESERVOIRS AND REDUCE VIRAL LOAD PASTEUR INSTITUT (FR) 2023-01-18 EP claimed