SCHEMBL8739321

SCHEMBL8739321

COc1ccc(N=O)cc1Nc1nc(-c2sc(N)nc2C)cs1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.74
MEN1 O00255 12/20 0.74
KMT2A Q03164 12/20 0.74
GAA P10253 10/20 0.74
ALDH1A1 P00352 9/20 0.74
TDP1 Q9NUW8 6/20 0.74
HSD17B10 Q99714 5/20 0.74
PDE5A O76074 1/20 0.69
PDE1A P54750 1/20 0.69
PDE1B Q01064 1/20 0.69
PDE1C Q14123 1/20 0.69
MAPK1 P28482 3/20 0.60
NPSR1 Q6W5P4 1/20 0.60
NPC1 O15118 3/20 0.56
TSHR P16473 2/20 0.56
SMN1; SMN2 Q16637 7/20 0.55
USP2 O75604 3/20 0.55
RAB9A P51151 3/20 0.55
POLB P06746 2/20 0.55
HTT P42858 5/20 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
SCHEMBL8737946 0.88 MEN1 (0.82) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL8739499 0.86 MEN1 (0.82) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL14132705 0.84 MEN1 (0.78) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL14146498 0.84 MEN1 (0.78) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL14132667 0.84 MEN1 (0.78) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL6114192 0.83 MEN1 (0.73) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL8738343 0.83 MEN1 (0.73) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL8738018 0.83 MEN1 (0.73) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL6114077 0.83 MEN1 (0.73) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL8737789 0.83 MEN1 (0.73) MAPTMEN1KMT2AGAAALDH1A1

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-2012068209-A2 BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 WO disclosed