SCHEMBL4739012

SCHEMBL4739012

O=C(c1cccnc1)N(Cc1csc(N2CCCC(O)C2)n1)c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.36
PDK1 Q15118 1/20 0.36
CXCR2 P25025 1/20 0.36
MAPK1 P28482 2/20 0.35
SLC18A3 Q16572 2/20 0.35
ABL1 P00519 3/20 0.35
DNM1L O00429 1/20 0.35
VNN1 O95497 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
AVPR1B P47901 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP3A4 P08684 1/20 0.34
NAMPT P43490 1/20 0.34

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
SCHEMBL4737961 0.90 GAA (0.39) GAATSHRHTTCXCR2MAPK1
SCHEMBL4737675 0.90 GAA (0.42) GAATSHRHTTPDK1CXCR2
SCHEMBL4738932 0.85 GAA (0.41) GAATSHRHTTCXCR2MAPK1
SCHEMBL4738953 0.84 GAA (0.40) GAATSHRHTTCXCR2MAPK1
SCHEMBL4735442 0.84 AR (0.43) GAATSHRHTTPDK1MAPK1
SCHEMBL4737103 0.84 GAA (0.43) GAATSHRHTTCXCR2MAPK1
SCHEMBL4738302 0.84 GAA (0.40) GAATSHRHTTCXCR2MAPK1
SCHEMBL3063871 0.83 DNM1L (0.38) GAATSHRHTTMAPK1DNM1L
SCHEMBL3048456 0.81 DNM1L (0.36) GAATSHRHTTMAPK1DNM1L
SCHEMBL4787168 0.80 TSHR (0.45) GAATSHRHTTPDK1CXCR2

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