SCHEMBL4739647

SCHEMBL4739647

O=C(c1ccnnc1)N(Cc1csc(N2CCOCC2)n1)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 3/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 2/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
APEX1 P27695 1/20 0.39
MPI P34949 1/20 0.39
RECQL P46063 1/20 0.39
MCL1 Q07820 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
TACR3 P29371 1/20 0.37
DNM1L O00429 1/20 0.36
GRIA2 P42262 1/20 0.36

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
SCHEMBL4737963 0.89 MEN1 (0.39) LMNAMAPTGAAKDM4EALDH1A1
SCHEMBL4739654 0.89 LMNA (0.38) NPC1RAB9ALMNAHTTMAPT
SCHEMBL4736789 0.89 AR (0.40) ARNPC1RAB9ALMNAHTT
SCHEMBL4735442 0.88 AR (0.43) ARNPC1RAB9ALMNAHTT
SCHEMBL4735240 0.88 KDM4E (0.44) HTTGAAKDM4EALDH1A1L3MBTL1
SCHEMBL3821644 0.87 LMNA (0.49) ARNPC1RAB9ALMNAHTT
SCHEMBL4734899 0.86 AR (0.42) ARNPC1RAB9ALMNAHTT
SCHEMBL4738359 0.85 LMNA (0.41) NPC1RAB9ALMNAHTTMAPT
SCHEMBL3826390 0.85 MAPT (0.50) ARNPC1RAB9ALMNAHTT
SCHEMBL3829564 0.85 ALDH1A1 (0.46) ARNPC1RAB9ALMNAHTT

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-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed