SCHEMBL2372214

SCHEMBL2372214

O=S(=O)(N[CH]OC(F)(F)F)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
KEAP1 Q14145 2/20 0.42
IL1RN P18510 1/20 0.42
ERAP1 Q9NZ08 1/20 0.42
ALDH1A1 P00352 3/20 0.41
NR1H3 Q13133 1/20 0.41
PKM P14618 2/20 0.40
KMT2A Q03164 2/20 0.40
SLC40A1 Q9NP59 1/20 0.40
MEN1 O00255 1/20 0.40
KAT6A Q92794 1/20 0.40
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL2442534 0.75 CA1 (0.48) CA1CA2MMP1MMP2MMP9
SCHEMBL2371341 0.75 CA2 (0.48) CA1CA2MMP1MMP2MMP9
SCHEMBL1527781 0.73 CA1 (0.47) CA1CA2MMP1MMP2MMP9
SCHEMBL2372216 0.73 ALDH1A1 (0.51) CA1CA2MMP1MMP2MMP9
SCHEMBL28290634 0.71 CA1 (0.54) CA1CA2MMP1MMP2MMP9
SCHEMBL302571 0.70 GAA (0.55) CA1CA2MMP1MMP2MMP9
SCHEMBL92828 0.69 CA1 (0.56) CA1CA2MMP1MMP2MMP9
Hydrochloric Acid SCHEMBL2640192 0.68 GAA (0.54) CA1CA2MMP1MMP2MMP9
SCHEMBL2372569 0.67 CA2 (0.54) CA1CA2MMP1MMP2MMP9
SCHEMBL603121 0.67 MMP2 (0.54) CA1CA2MMP1MMP2MMP9

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
EP-2547204-A2 ARYL AND HETARYL SULFONAMIDES AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS Bayer Intellectual Property GmbH (DE) 2013-01-23 EP disclosed
WO-2011113861-A2 ARYL AND HETARYL SULFONAMIDES AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2011-09-22 WO disclosed