SCHEMBL25844808

SCHEMBL25844808

CC(I)C(=O)Oc1ccc(OC(=O)C(F)(F)S(=O)(=O)O)c(Br)c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.34
EPAS1 Q99814 2/20 0.32
CA1 P00915 1/20 0.31
ABL1 P00519 1/20 0.31
RIN1 Q13671 1/20 0.31
ELANE P08246 1/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 2/20 0.31
PKM P14618 1/20 0.31
XBP1 P17861 1/20 0.30
ATM Q13315 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL25844811 0.95 CA2 (0.33) CA2EPAS1ABL1RIN1ELANE
SCHEMBL25845007 0.89 CA2 (0.34) CA2EPAS1ABL1RIN1ELANE
SCHEMBL25844818 0.87 CA2 (0.32) CA2ELANEGAAXBP1ATM
SCHEMBL25844801 0.87 CA2 (0.32) CA2ELANEGAAXBP1ATM
SCHEMBL25844806 0.87
SCHEMBL25844814 0.86 SCN9A (0.33) CA2EPAS1
SCHEMBL25845008 0.85 CA2 (0.33) CA2EPAS1ABL1RIN1ELANE
SCHEMBL25844798 0.84 ELANE (0.40) ELANEPKMATML3MBTL1
SCHEMBL25844824 0.82 ALDH3A1 (0.39) EPAS1ALDH1A1NPSR1
SCHEMBL25844803 0.80

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-11709426-B2 Resist composition and pattern forming process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-07-25 US disclosed