SCHEMBL22789846

SCHEMBL22789846

O=C(NS(=O)(=O)C(F)(F)F)c1c(I)cccc1I

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.39
▸ MAPK1 P28482 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CA2 P00918 4/20 0.36
▸ TLR8 Q9NR97 2/20 0.35
▸ CCR2 P41597 2/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ SCN5A Q14524 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ P2RX1 P51575 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ PTGFR P43088 1/20 0.33
▸ VCP P55072 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP12 P39900 1/20 0.33
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ MEN1 O00255 1/20 0.32

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
SCHEMBL22097548 0.85 MAPK1 (0.35) RXFP1MAPK1SMN1; SMN2CA2CCR2
SCHEMBL22097550 0.83 MAPK1 (0.34) MAPK1SMN1; SMN2CA2CCR2SCN5A
SCHEMBL22503312 0.81 KMT2A (0.46) TLR7MEN1KMT2A
SCHEMBL22789845 0.76 KAT6A (0.49) SCN5ASCN9APTGFRVCPPTGS1
SCHEMBL26163063 0.74 TLR7 (0.45) TLR8TLR7PTGFRMEN1KMT2A
SCHEMBL26163071 0.74 CRBN (0.42) TLR7PTGS1MEN1KMT2A
SCHEMBL18160600 0.74 PTGS1 (0.56) CA2CA1PTGS1PTGS2TDP1
SCHEMBL22503119 0.74 TRPV1 (0.50) CA2SCN5ASCN9ACA1VCP
SCHEMBL178335 0.73 HDAC3 (0.52) SCN5ASCN9AP2RX1CA1VCP
SCHEMBL22503182 0.72 CES2 (0.36) MAPK1SMN1; SMN2CA2CCR2SCN5A

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-20200393760-A1 POSITIVE RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-12-17 — — US disclosed
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