SCHEMBL28773170

SCHEMBL28773170

CS(=O)(=O)Oc1cc(CN)ccc1CO

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.37
PSIP1 O75475 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LOXL2 Q9Y4K0 2/20 0.33
CA5A P35218 2/20 0.33
CSNK2A1 P68400 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33

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
SCHEMBL27745086 0.84 PSIP1 (0.35) PTPN1PSIP1LOXL2CA5ACSNK2A1
SCHEMBL14564765 0.79 KDM4E (0.51) PTPN1KDM4ESMN1; SMN2CA5ACA12
SCHEMBL2894644 0.79 CA1 (0.47) KDM4ECA1CA2CA9
SCHEMBL10149308 0.78 PDCD1 (0.47) KDM4ECA2
SCHEMBL14873048 0.73 PTGDR2 (0.42) PTPN1KDM4E
SCHEMBL30422165 0.73 EPHX1 (0.39) KDM4ECA5ACA12CA1CA2
SCHEMBL645987 0.73 EPHX1 (0.39) KDM4ECA5ACA12CA1CA2
Hydrochloric Acid SCHEMBL4968998 0.72 PTPN1 (0.38) PTPN1CSNK2A1CA1CA2CA9
SCHEMBL14862722 0.71 GAA (0.36) PTPN1KDM4ECA1CA2CA9
Hydrogen Sulfide SCHEMBL28158762 0.71 PSIP1 (0.47) PSIP1KDM4ESMN1; SMN2LOXL2CA5A

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
CN-101336235-A 1-orthofluorophenyl substituted 1, 2, 5-thiazolidinedione derivatives as ptp-as inhibitors NOVARTIS AG (CH) 2008-12-31 CN disclosed