SCHEMBL28037185

SCHEMBL28037185

CCCCC(I)OS(=O)(=O)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.34
CA2 P00918 2/20 0.32
CA1 P00915 1/20 0.32
MAPK1 P28482 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
SCHEMBL28232909 0.89 EPHX1 (0.33) EPHX1CA2CA1
SCHEMBL5286793 0.81 EPHX1 (0.40) EPHX1CA2CA1MAPK1
SCHEMBL27525293 0.78 EPHX1 (0.34) EPHX1CA2CA1MAPK1
SCHEMBL2326465 0.75 CA2 (0.40) EPHX1CA2CA1MAPK1
SCHEMBL8911416 0.75 CA2 (0.40) EPHX1CA2CA1MAPK1
SCHEMBL14778630 0.75 EPHX1 (0.33) EPHX1CA2CA1
SCHEMBL17651980 0.75 EPHX1 (0.33) EPHX1CA2CA1
SCHEMBL5275588 0.74 EPHX1 (0.46) EPHX1
SCHEMBL10359016 0.74 TP53 (0.40) EPHX1
SCHEMBL3641633 0.73 EPHX1 (0.41) EPHX1

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
CN-105061436-B A kind of preparation method of polysubstituted condensed indole diindyl class compound 清华大学 2017-08-11 CN disclosed
CN-105061436-A Preparation method of polysubstituted thick indole and indole compound UNIV TSINGHUA 2015-11-18 CN disclosed