SCHEMBL25802453

SCHEMBL25802453

O=S(=O)(NCCOc1ccc(I)cc1I)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.42
CA2 P00918 3/20 0.37
CA1 P00915 1/20 0.37
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
EPHX1 P07099 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
GLRA3 O75311 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
NPY5R Q15761 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 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
SCHEMBL23843654 0.81 IDO1 (0.37) IDO1CA2CA1HTTMEN1
SCHEMBL25802461 0.75 NR3C1 (0.33) CA2CA1CNR1
SCHEMBL25232800 0.71 CA2 (0.44) IDO1CA2CA1EPHX1SMN1; SMN2
SCHEMBL420358 0.71 IDO1 (0.40) IDO1CA2CA1
SCHEMBL23843874 0.71 CNR1 (0.35) IDO1CA2CA1KMT2ACNR1
SCHEMBL23843803 0.70 KMT2A (0.39) IDO1HTTMEN1KMT2AUSP2
SCHEMBL23843862 0.70 SERPINE1 (0.43) IDO1CA2CA1TDP1GAA
SCHEMBL23843863 0.70 TDP1 (0.38) IDO1CA2CA1KMT2ATDP1
SCHEMBL30728413 0.70 MEN1 (0.52) IDO1HTTMEN1KMT2ANPSR1
SCHEMBL23843860 0.69 TRPV1 (0.38) IDO1CA2CA1MEN1KMT2A

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
WO-2023119910-A1 RADIATION-SENSITIVE COMPOSITION, RESIST PATTERN FORMATION METHOD, ACID GENERATOR, AND COMPOUND JSR株式会社 2023-06-29 WO disclosed