SCHEMBL9766758

SCHEMBL9766758

O=C(Nc1ncncn1)NS(=O)(=O)c1ccccc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
MMP1 P03956 1/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
MMP13 P45452 1/20 0.51
CA12 O43570 7/20 0.46
CA9 Q16790 7/20 0.46
F2 P00734 1/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
FBP1 P09467 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL11052495 0.84 CA1 (0.49) CA1CA2MMP1MMP2MMP9
SCHEMBL10563919 0.83 CA1 (0.43) CA1CA2MMP1MMP2MMP9
SCHEMBL7915049 0.81 CA1 (0.52) CA1CA2CA12CA9KDM4E
SCHEMBL10506878 0.80 ALDH1A1 (0.39) CA1CA2CA12CA9MAPT
SCHEMBL11186137 0.80 NPC1 (0.40) CA1CA2CA12CA9MAPT
Sulfometuron SCHEMBL66180 0.79 LMNA (0.49) CA1CA2MMP1MMP2MMP9
Sulfometuron SCHEMBL29367129 0.79 LMNA (0.49) CA1CA2MMP1MMP2MMP9
SCHEMBL11076516 0.79 CA2 (0.49) CA1CA2MMP1MMP2MMP9
Monosulfuron SCHEMBL29350477 0.79 NPSR1 (0.49) CA1CA2MMP1MMP2MMP9
SCHEMBL10565212 0.78 ALDH1A1 (0.38) CA1CA2CA12CA9MAPT

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-5071470-A Pre- or postemergence BASF AKTIENGESELLSCHAFT (DE) 1991-12-10 US disclosed