SCHEMBL5082404

SCHEMBL5082404

Cc1ccc(S(=O)(=O)N2C(=O)CCC2C(=O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
RAB9A P51151 1/20 0.61
MMP2 P08253 5/20 0.56
MMP9 P14780 1/20 0.56
POLB P06746 2/20 0.55
HTT P42858 3/20 0.54
KDM4E B2RXH2 1/20 0.54
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
ALDH1A1 P00352 2/20 0.45
ACHE P22303 1/20 0.43
ANPEP P15144 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
SCHEMBL4015124 1.00 MEN1 (0.61) MEN1KMT2ARAB9AMMP2MMP9
SCHEMBL4074349 0.87 KMT2A (0.57) MEN1KMT2ARAB9AMMP2MMP9
SCHEMBL13845797 0.86 POLB (0.52) MEN1KMT2ARAB9AMMP2MMP9
SCHEMBL13845795 0.80 MEN1 (0.55) MEN1KMT2ARAB9AMMP2MMP9
SCHEMBL13845793 0.79 POLB (0.55) MEN1KMT2ARAB9AMMP2MMP9
SCHEMBL7122131 0.77 MEN1 (0.54) MEN1KMT2ARAB9AMMP2MMP9
SCHEMBL13849822 0.76 POLB (0.48) MEN1KMT2ARAB9AMMP2MMP9
SCHEMBL13845789 0.76 MEN1 (0.55) MEN1KMT2ARAB9AMMP2MMP9
SCHEMBL7069632 0.76 ALDH1A1 (0.65) MEN1KMT2ARAB9AMMP2MMP9
SCHEMBL25243550 0.75 MEN1 (0.71) MEN1KMT2ARAB9AMMP2MMP9

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
WO-2008132128-A2 SYNTHESIS OF A PHARMACEUTICALLY ACTIVE COMPOUND Solvay (Société Anonyme) (BE) 2008-11-06 WO claimed
WO-2008132128-A2 SYNTHESIS OF A PHARMACEUTICALLY ACTIVE COMPOUND Solvay (Société Anonyme) (BE) 2008-11-06 WO disclosed