SCHEMBL8739499

SCHEMBL8739499

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

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.82
KMT2A Q03164 12/20 0.82
MAPT P10636 12/20 0.82
GAA P10253 10/20 0.82
ALDH1A1 P00352 8/20 0.82
HSD17B10 Q99714 5/20 0.82
TDP1 Q9NUW8 5/20 0.82
PDE5A O76074 1/20 0.76
PDE1A P54750 1/20 0.76
PDE1B Q01064 1/20 0.76
PDE1C Q14123 1/20 0.76
MAPK1 P28482 3/20 0.66
NPSR1 Q6W5P4 1/20 0.66
NPC1 O15118 4/20 0.61
TSHR P16473 2/20 0.61
SMN1; SMN2 Q16637 6/20 0.60
RAB9A P51151 4/20 0.60
USP2 O75604 3/20 0.60
POLB P06746 2/20 0.60
KDM4E B2RXH2 3/20 0.59

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
SCHEMBL8739310 0.92 MEN1 (0.78) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL8737946 0.91 MEN1 (0.82) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL14132667 0.89 MEN1 (0.78) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL14146498 0.89 MEN1 (0.78) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL14132705 0.89 MEN1 (0.78) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL8738396 0.86 MEN1 (0.74) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL8737696 0.86 MEN1 (0.75) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL8738009 0.86 MEN1 (0.74) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL8739321 0.86 MAPT (0.74) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL14133189 0.86 MEN1 (1.00) MEN1KMT2AMAPTGAAALDH1A1

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