SCHEMBL4940528

SCHEMBL4940528

O=S(=O)(Cl)c1ccc(F)c2n[se]nc12

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 2/20 0.33
TRPV4 Q9HBA0 2/20 0.33
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL4939018 0.81 TET2 (0.46) TET2ALDH1A1HSD17B10
SCHEMBL16049817 0.74 SMN1; SMN2 (0.34) TET2TRPV4ALDH1A1TDP1
SCHEMBL10693669 0.74 POLB (0.37) TET2TRPV4ALDH1A1HSD17B10TDP1
Trimethylammonium SCHEMBL22734668 0.72 NLRP3 (0.33)
SCHEMBL22734619 0.70 NLRP3 (0.34)
Hydrochloric Acid SCHEMBL22734670 0.69 PKLR (0.30)
SCHEMBL4941118 0.69
SCHEMBL4940386 0.69 TSHR (0.46) ALDH1A1
Hydrochloric Acid SCHEMBL22734669 0.68 POLB (0.33) ALDH1A1HSD17B10
SCHEMBL533092 0.67 HSD17B10 (0.40) TRPV4ALDH1A1HSD17B10TDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1705482-B1 METHOD OF DETECTION, SEPARATION AND IDENTIFICATION FOR EXPRESSED TRACE PROTEIN/PEPTIDE IMAI KAZUHIRO (JP) 2017-09-27 EP disclosed
US-8796037-B2 Method of detection, separation and identification for expressed trace protein/peptide IMAI KAZUHIRO (JP) 2014-08-05 US disclosed
US-20080280316-A1 Mass spectrometry; liquid chromatography; automatic fractionation IMAI KAZUHIRO 2008-11-13 US disclosed