SCHEMBL9680054

SCHEMBL9680054

CCc1cccc(C)c1S(=O)(=O)c1nn(C(=O)N(CC)CC)cc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
HTT P42858 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CLCN2 P51788 1/20 0.33
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
PTGS2 P35354 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
KDM4C Q9H3R0 1/20 0.30

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
SCHEMBL9678346 0.93 LMNA (0.33) KMT2AMEN1SMN1; SMN2CLCN2ALDH1A1
SCHEMBL8782784 0.90 KMT2A (0.32) KMT2AHTTPTGDR2MEN1SMN1; SMN2
SCHEMBL8782480 0.89 KMT2A (0.36) KMT2AHTTPTGDR2MEN1SMN1; SMN2
SCHEMBL8782525 0.89 KMT2A (0.33) KMT2AHTTPTGDR2MEN1SMN1; SMN2
SCHEMBL8782420 0.89 TSHR (0.34) KMT2AHTTMEN1SMN1; SMN2TSHR
SCHEMBL9679370 0.88 RARG (0.36) KMT2APTGDR2TSHRMAPK1ALDH1A1
SCHEMBL8782216 0.86 PTGDR2 (0.32) KMT2AHTTPTGDR2MEN1SMN1; SMN2
SCHEMBL8782453 0.86 KMT2A (0.34) KMT2AHTTPTGDR2MEN1SMN1; SMN2
SCHEMBL8782967 0.86 PTGDR2 (0.34) KMT2AHTTPTGDR2MEN1SMN1; SMN2
SCHEMBL8782537 0.86 TSPO (0.33) KMT2AHTTPTGDR2MEN1SMN1; SMN2

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
EP-0493925-A1 Pyrazole derivatives having herbicidal activity, their preparation and their use Sankyo Company Limited (JP) 1992-07-08 EP disclosed