SCHEMBL7731985

SCHEMBL7731985

O=c1cc(Nc2cccc(CS)c2)[nH]c(=O)[nH]1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.62
HTT P42858 1/20 0.62
TP53 P04637 1/20 0.52

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
SCHEMBL7738714 0.85 MAPT (0.62) MAPTHTTTP53
SCHEMBL7738159 0.85 MAPT (0.62) MAPTHTTTP53
SCHEMBL8208474 0.82 MAPT (0.58) MAPTHTTTP53
SCHEMBL4082607 0.77 MAPT (0.68) MAPTHTTTP53
SCHEMBL21221877 0.77 MAPT (0.68) MAPTHTTTP53
SCHEMBL21221817 0.76 MAPT (0.54) MAPTHTT
SCHEMBL7731984 0.73 MAPT (0.62) MAPTHTTTP53
SCHEMBL15294480 0.73 MAPT (0.58) MAPTHTTTP53
SCHEMBL21221793 0.72 MAPT (0.61) MAPTHTTTP53
SCHEMBL7738725 0.72 MAPT (0.57) MAPTHTTTP53

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-6417180-B1 POLYMERASE ACTIVE SITE BINDING UNIVERSITY OF MASSACHUSETTS 2002-07-09 US disclosed