SCHEMBL4737675

SCHEMBL4737675

O=C(c1cccnc1)N(Cc1csc(N2CCC(O)CC2)n1)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
PDK1 Q15118 1/20 0.41
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 2/20 0.38
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
CXCR2 P25025 1/20 0.36
MAPK14 Q16539 1/20 0.36
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
DNM1L O00429 1/20 0.35
GRM1 Q13255 1/20 0.35

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
SCHEMBL4738932 0.91 GAA (0.41) GAATSHRHTTSMN1; SMN2RAB9A
SCHEMBL4739012 0.90 GAA (0.40) GAATSHRPDK1HTTSMN1; SMN2
SCHEMBL4738302 0.90 GAA (0.40) GAATSHRHTTSMN1; SMN2RAB9A
SCHEMBL4735442 0.89 AR (0.43) GAATSHRPDK1HTTSMN1; SMN2
SCHEMBL4737103 0.89 GAA (0.43) GAATSHRHTTSMN1; SMN2L3MBTL1
SCHEMBL4738953 0.85 GAA (0.40) GAATSHRHTTSMN1; SMN2L3MBTL1
SCHEMBL4737961 0.85 GAA (0.39) GAATSHRHTTSMN1; SMN2MAPK1
SCHEMBL3066965 0.82 SMN1; SMN2 (0.43) GAATSHRHTTSMN1; SMN2RAB9A
SCHEMBL4736625 0.80 SMN1; SMN2 (0.39) GAATSHRHTTSMN1; SMN2RAB9A
SCHEMBL4786765 0.80 GAA (0.51) GAATSHRHTTRAB9ANPC1

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