SCHEMBL29055209

SCHEMBL29055209

CS(=N)(=O)c1c(-c2ccccc2)cc(I)cc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 6/20 0.42
▸ LMNA P02545 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ MCOLN3 Q8TDD5 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ S1PR4 O95977 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ SDHB P21912 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ STAT3 P40763 1/20 0.36
▸ STAT1 P42224 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TLR9 Q9NR96 1/20 0.36

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
SCHEMBL29055157 0.84 LMNA (0.46) PTGS2LMNASMN1; SMN2HPGDNPSR1
SCHEMBL29055184 0.82 PTGS2 (0.42) PTGS2LMNASMN1; SMN2HPGDHTT
SCHEMBL29055141 0.81 PTGS2 (0.52) PTGS2LMNASMN1; SMN2HPGDMCOLN3
SCHEMBL29055170 0.79 BACE1 (0.45) PTGS2SMN1; SMN2HPGDKMT2ANPSR1
SCHEMBL29055181 0.67 PTGS2 (0.43) PTGS2LMNAKMT2APOLBMCOLN3
SCHEMBL29136486 0.66 BACE1 (0.54) HPGDKMT2AMEN1HSD17B10KDM4E
SCHEMBL29055173 0.66 PTGS2 (0.56) PTGS2RAB9AKDM4EALDH1A1CYP1A2
SCHEMBL29055172 0.66 PTGS2 (0.56) PTGS2DRD1
SCHEMBL10029667 0.65 LMNA (0.50) PTGS2LMNASMN1; SMN2HTTKMT2A
SCHEMBL21794269 0.64 ALDH1A1 (0.48) SMN1; SMN2HPGDKMT2AMEN1HSD17B10

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
CN-116410116-A Preparation method of m-terphenyl sulfoxide imine compound under rhodium catalysis 赣南师范大学 2023-07-11 — — CN disclosed
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