SCHEMBL9457645

SCHEMBL9457645

O=C(O)c1[nH]c2ccccc2c1C1=CC(=S)CC(Cl)=C1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
ALDH1A1 P00352 3/20 0.57
HPGD P15428 2/20 0.57
MAP2 P11137 2/20 0.47
FOLH1 Q04609 1/20 0.43
GAA P10253 1/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
HTT P42858 1/20 0.41
GFER P55789 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 3/20 0.41
PLCG1 P19174 2/20 0.41
NSD2 O96028 1/20 0.41
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
GPR35 Q9HC97 1/20 0.40

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
SCHEMBL9670303 0.84 ALDH1A1 (0.52) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL6535836 0.75 GPR17 (0.37) KDM4EALDH1A1HPGDMAP2GPR35
SCHEMBL3091466 0.74 KDM4E (1.00) KDM4EALDH1A1HPGDMAP2FOLH1
SCHEMBL9816507 0.74 KDM4E (0.79) KDM4EALDH1A1HPGDMAP2GAA
Hydrochloric Acid SCHEMBL5203951 0.73 KDM4E (0.96) KDM4EALDH1A1HPGDMAP2FOLH1
SCHEMBL1613575 0.69 KDM4E (0.61) KDM4EALDH1A1HPGDMAP2FOLH1
SCHEMBL30220650 0.69 KDM4E (0.61) KDM4EALDH1A1HPGDMAP2FOLH1
SCHEMBL7591935 0.68 KDM4E (0.79) KDM4EALDH1A1HPGDMAP2GAA
SCHEMBL9441674 0.68 KDM4E (0.79) KDM4EALDH1A1HPGDMAP2GAA
SCHEMBL7594894 0.67 KDM4E (0.71) KDM4EALDH1A1HPGDMAP2FOLH1

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
US-5225421-A Leukotriene antagonists; cytoprotective agents MERCK FROSST CANADA, INC. (CA) 1993-07-06 US disclosed
US-5081138-A Antiasthmatic, antiallergic, antiinflammatory and cytoprotective agents MERCK FROSST CANADA, INC. (CA) 1992-01-14 US disclosed