SCHEMBL24453045

SCHEMBL24453045

O=S(=O)(NS(=O)(=O)C(F)(F)F)Oc1ccc2cc(C3CO3)ccc2c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.33
GSTO1 P78417 3/20 0.33
PTPN1 P18031 1/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL24453051 0.88 PTPN1 (0.36) GSTO1PTPN1CA1CA2CA9
SCHEMBL24453050 0.76
SCHEMBL24465365 0.72 HTR7 (0.42) GSTO1PTPN1
SCHEMBL24453054 0.72 ALDH1A1 (0.54) PTPN1
SCHEMBL24452514 0.70 CA2 (0.38) GSTO1CA1CA2CA9
SCHEMBL24452902 0.68 MCL1 (0.36) PTPN1
SCHEMBL14515207 0.67 CYP2A6 (0.48) PTPN1CA1CA9
SCHEMBL5666591 0.67 CYP2A6 (0.48) PTPN1CA1CA9
SCHEMBL18195885 0.67 KMT2A (0.47) PTPN1CA1CA2CA9
SCHEMBL14515197 0.67 CYP2A6 (0.48) PTPN1CA1CA9

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-20220160281-A1 BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, METHOD FOR MANUFACTURING BIO-ELECTRODE, AND REACTION COMPOSITE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-05-26 US disclosed