SCHEMBL11090239

SCHEMBL11090239

N=C(N)Nc1nc(-c2cccc(C(=N)N)c2)cs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
GAA P10253 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ABL1 P00519 3/20 0.50
VCP P55072 1/20 0.48
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
ALDH1A1 P00352 3/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RRM1 P23921 1/20 0.47
RRM2B Q7LG56 1/20 0.47
SCD O00767 1/20 0.47
GSTO1 P78417 1/20 0.46
MEN1 O00255 2/20 0.46

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
SCHEMBL3603750 0.89 MAPT (0.55) MAPTNPC1RAB9AGAANPSR1
SCHEMBL11093012 0.88 GAA (0.48) MAPTNPC1RAB9AGAANPSR1
SCHEMBL11093016 0.88 MAPT (0.48) MAPTNPC1RAB9AGAANPSR1
SCHEMBL3606683 0.88 CSNK2A1 (0.58) MAPTNPC1RAB9AGAANPSR1
Bromide SCHEMBL7142457 0.87 CSNK2A1 (0.57) MAPTNPC1RAB9AGAANPSR1
SCHEMBL11085009 0.87 ABL1 (0.49) MAPTNPC1RAB9AGAANPSR1
SCHEMBL11085002 0.87 ABL1 (0.49) MAPTNPC1RAB9AGAANPSR1
SCHEMBL3615155 0.86 ALOX5 (0.51) MAPTNPC1RAB9AGAANPSR1
SCHEMBL2393684 0.86 HDAC3 (0.59) MAPTNPC1RAB9AGAANPSR1
SCHEMBL3602570 0.86 ABL1 (0.67) NPC1RAB9AABL1VCPPRSS1

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
US-4452985-A 2-Guanyl-4-(substituted phenyl) thiazole derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1984-06-05 US disclosed