SCHEMBL8574362

SCHEMBL8574362

COC(=O)c1cc(S(C)(=O)=O)c(Cl)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
HTT P42858 1/20 0.56
KDM4E B2RXH2 4/20 0.53
HSD17B10 Q99714 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HPGD P15428 7/20 0.49
ALDH1A1 P00352 6/20 0.49
LMNA P02545 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 2/20 0.49
NPY1R P25929 1/20 0.49
NPY2R P49146 1/20 0.49
RAB9A P51151 1/20 0.49
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL8576478 0.86 KDM4E (0.52) KDM4EHSD17B10MEN1KMT2AHPGD
SCHEMBL1546543 0.85 TDP1 (0.46) GAAHTTKDM4EHSD17B10MEN1
SCHEMBL8575467 0.85 MAPT (0.53) HTTALDH1A1MAPTNPSR1
SCHEMBL8580952 0.83 GAA (0.46) GAAHTTKDM4EHSD17B10MEN1
SCHEMBL6922302 0.83 MAPT (0.45) HTTKDM4EHSD17B10SMN1; SMN2MAPT
SCHEMBL7419408 0.81 GAA (0.74) GAAHTTKDM4EHSD17B10MEN1
SCHEMBL8573433 0.81 ABL1 (0.51) GAAKDM4EHSD17B10HPGDALDH1A1
SCHEMBL8581653 0.80 HTT (0.45) GAAHTTKDM4EHSD17B10MEN1
SCHEMBL8582018 0.80 SLC9A1 (0.45) GAAHTTKDM4EHSD17B10MEN1
SCHEMBL8573173 0.80 TSHR (0.44) HTTALDH1A1SMN1; SMN2MAPTNPSR1

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
US-5849796-A Ortho-substituted benzoil acid derivatives MERCK PATENT GELSELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-12-15 US disclosed