SCHEMBL28429591

SCHEMBL28429591

O=C(O)c1nc2cc(S)ccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.53
RHEB Q15382 1/20 0.42
MAPT P10636 1/20 0.37
EGLN1 Q9GZT9 3/20 0.36
CCND3 P30281 1/20 0.36
CDK6 Q00534 1/20 0.36
LMNA P02545 3/20 0.35
AURKA O14965 1/20 0.35
JAK2 O60674 1/20 0.35
ABL1 P00519 1/20 0.35
NTRK1 P04629 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
CSF1R P07333 1/20 0.35
RET P07949 1/20 0.35
IGF1R P08069 1/20 0.35
MET P08581 1/20 0.35
PDGFRB P09619 1/20 0.35
PIM1 P11309 1/20 0.35
FGFR1 P11362 1/20 0.35

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
SCHEMBL28429593 0.86 PIN1 (0.66) PIN1RHEBEGLN1HSP90AA1ESR2
SCHEMBL16268186 0.85 MAPT (0.37) PIN1MAPTEGLN1CCND3CDK6
SCHEMBL4811045 0.81 PIN1 (0.54) PIN1RHEBMAPTAURKAABL1
SCHEMBL31024214 0.79 PIN1 (0.53) PIN1RHEBMAPTEGLN1CCND3
SCHEMBL482085 0.79 PIN1 (0.53) PIN1RHEBMAPTEGLN1
SCHEMBL2214853 0.79 PIN1 (0.76) PIN1RHEBMAPTHSP90AA1ESR2
SCHEMBL523253 0.79 RHEB (0.54) PIN1RHEBMAPTLMNAKDR
SCHEMBL4399173 0.79 PIN1 (0.53) PIN1RHEBMAPTLMNAKDR
SCHEMBL2243699 0.79 PIN1 (0.53) PIN1RHEBEGLN1LMNATDP1
SCHEMBL4826512 0.79 EGLN1 (0.53) PIN1MAPTEGLN1LMNAPDGFRB

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 2 patents. 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 claimed
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