SCHEMBL28429593

SCHEMBL28429593

O=C(O)c1nc2ccc(S)cc2[nH]1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.66
HSP90AA1 P07900 1/20 0.45
ESR2 Q92731 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
EGLN1 Q9GZT9 2/20 0.43
RHEB Q15382 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
APEX1 P27695 1/20 0.40
HRH4 Q9H3N8 4/20 0.40
NR4A2 P43354 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
MPO P05164 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL28429591 0.86 PIN1 (0.53) PIN1HSP90AA1ESR2TDP1EGLN1
SCHEMBL19129660 0.85 PIN1 (0.51) PIN1HSP90AA1ESR2TDP1EGLN1
SCHEMBL17693449 0.85 PIN1 (0.47) PIN1EGLN1HRH4MPOHRH3
SCHEMBL4806542 0.81 PIN1 (0.68) PIN1HSP90AA1ESR2TDP1EGLN1
SCHEMBL29527229 0.79 PIN1 (0.66) PIN1TDP1EGLN1RHEBHRH4
SCHEMBL21063893 0.79 PIN1 (0.66) PIN1HSP90AA1ESR2TDP1EGLN1
SCHEMBL523254 0.79 PIN1 (0.66) PIN1TDP1EGLN1RHEBHRH4
SCHEMBL4399180 0.79 PIN1 (0.66) PIN1TDP1SMN1; SMN2APEX1HRH4
SCHEMBL3644545 0.79 PIN1 (0.66) PIN1HSP90AA1ESR2TDP1EGLN1
SCHEMBL2243706 0.79 PIN1 (0.66) PIN1TDP1EGLN1APEX1HRH4

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-111426673-A Gold and silver hybrid nano-particles and preparation method and application thereof 南京工业大学 2020-07-17 CN disclosed