SCHEMBL27460744

SCHEMBL27460744

O=C(NNS(=O)(=O)c1ccccc1)c1ccc(N[C]=S)cc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 8/20 0.68
KMT2A Q03164 2/20 0.67
MEN1 O00255 1/20 0.67
HTT P42858 1/20 0.63
GAA P10253 6/20 0.59
GFER P55789 1/20 0.52
CYP3A4 P08684 1/20 0.52
PKM P14618 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
BCAT1 P54687 2/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL4765513 0.82 KAT6A (1.00) KAT6AKMT2AMEN1HTTGAA
SCHEMBL6979280 0.81 KAT6A (0.73) KAT6AKMT2AMEN1HTTGAA
SCHEMBL26104327 0.81 MEN1 (1.00) KAT6AKMT2AMEN1HTTGAA
SCHEMBL6400145 0.79 KAT6A (0.81) KAT6AKMT2AMEN1HTTGAA
SCHEMBL20233293 0.78 KAT6A (0.78) KAT6AKMT2AMEN1HTTGAA
SCHEMBL6396355 0.78 KAT6A (0.78) KAT6AKMT2AMEN1HTTGAA
SCHEMBL20233361 0.78 KAT6A (0.78) KAT6AKMT2AMEN1HTTGAA
SCHEMBL6986233 0.77 KAT6A (0.62) KAT6AKMT2AMEN1HTTGAA
SCHEMBL20233368 0.77 HTT (1.00) KAT6AKMT2AMEN1HTTGAA
SCHEMBL6394967 0.77 KAT6A (0.66) KAT6AKMT2AMEN1HTTGAA

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
CN-1145616-C Novel amino-triazole compound, its preparation method and drug composition containing them ɪά��ʵ���� 2004-04-14 CN disclosed