SCHEMBL7537538

SCHEMBL7537538

C=C(C(N)=O)c1ccccc1SC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
KMT2A Q03164 7/20 0.45
GAA P10253 2/20 0.45
MEN1 O00255 5/20 0.44
HPGD P15428 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HSD17B10 Q99714 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42

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
SCHEMBL701691 0.80 SIRT1 (0.60) HTTKMT2AGAAMEN1HPGD
Iodide SCHEMBL7710889 0.79 SIRT1 (0.58) HTTKMT2AGAAMEN1HPGD
SCHEMBL515125 0.76 HTT (0.51) HTTKMT2AGAAMEN1HPGD
SCHEMBL9669181 0.76 HTT (0.55) HTTKMT2AGAAMEN1HPGD
SCHEMBL31620817 0.75 ALDH1A1 (0.53) HTTKMT2AGAAMEN1HPGD
SCHEMBL4066790 0.75 IRAK4 (0.39) KMT2AMEN1HPGDALDH1A1MAPT
SCHEMBL4622473 0.75 MAOA (0.46) HTTKMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL709788 0.74 POLB (0.68) HTTKMT2AGAAMEN1HPGD
SCHEMBL29391544 0.74 POLB (0.68) HTTKMT2AGAAMEN1HPGD
SCHEMBL20824816 0.74 HTT (0.44) HTTKMT2AGAAMEN1HPGD

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
WO-2002034251-A1 TREATMENT OF ASTHMA WITH LFM ANALOGUES PARKER HUGHES INSTITUTE (US) 2002-05-02 WO disclosed