SCHEMBL4598252

SCHEMBL4598252

[c]1ccc(-c2csc(Nc3ccncc3)n2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.70
MAPT P10636 9/20 0.67
RAB9A P51151 7/20 0.67
NPC1 O15118 6/20 0.67
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
TDP1 Q9NUW8 2/20 0.67
VCP P55072 2/20 0.67
ESR1 P03372 1/20 0.67
POLB P06746 1/20 0.67
ALDH1A1 P00352 3/20 0.65
HTT P42858 3/20 0.65
LMNA P02545 3/20 0.65
GAA P10253 3/20 0.65
NPSR1 Q6W5P4 2/20 0.65
MAPK1 P28482 4/20 0.61
CLK1 P49759 1/20 0.61
HDAC6 Q9UBN7 1/20 0.58
AMY1A P0DUB6 2/20 0.55
USP2 O75604 1/20 0.55

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
SCHEMBL1818950 0.84 SMN1; SMN2 (0.91) SMN1; SMN2MAPTRAB9ANPC1MEN1
SCHEMBL1886135 0.83 SMN1; SMN2 (1.00) SMN1; SMN2MAPTRAB9ANPC1MEN1
SCHEMBL27810995 0.80 MAPK1 (0.75) SMN1; SMN2MAPTRAB9ANPC1MEN1
SCHEMBL12639816 0.80 MAPT (0.97) SMN1; SMN2MAPTRAB9ANPC1MEN1
SCHEMBL1882991 0.80 VCP (1.00) SMN1; SMN2MAPTRAB9ANPC1MEN1
SCHEMBL12297166 0.80 MAPT (0.73) SMN1; SMN2MAPTRAB9ANPC1MEN1
SCHEMBL1887335 0.80 ESR1 (1.00) SMN1; SMN2MAPTRAB9ANPC1MEN1
SCHEMBL1889024 0.80 MAPT (1.00) SMN1; SMN2MAPTRAB9ANPC1MEN1
SCHEMBL1886814 0.80 RAB9A (1.00) SMN1; SMN2MAPTRAB9ANPC1MEN1
SCHEMBL12297438 0.80 MAPT (0.73) SMN1; SMN2MAPTRAB9ANPC1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1908466-B1 SUBSTITUTED PROPANAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME DAIICHI SANKYO CO LTD (JP) 2014-02-19 EP disclosed
EP-1908466-A1 SUBSTITUTED PROPANAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Daiichi Sankyo Company, Limited (JP) 2008-04-09 EP disclosed