SCHEMBL8355149

SCHEMBL8355149

COc1ccc(S(=O)(=O)Nc2nc(-c3cc(C(F)(F)F)ccc3F)cs2)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
MAPK1 P28482 2/20 0.54
ALOX15 P16050 1/20 0.54
KMO O15229 1/20 0.54
SCN9A Q15858 7/20 0.53
KDM1A O60341 3/20 0.52
ALDH1A1 P00352 2/20 0.48
PKM P14618 1/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
RECQL P46063 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
STAT3 P40763 1/20 0.48
MPL P40238 1/20 0.47

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
SCHEMBL8357471 0.88 MEN1 (0.63) MEN1KMT2ASCN9AKDM1AALDH1A1
SCHEMBL727086 0.85 NPSR1 (0.59) MEN1KMT2AKDM1AMPL
SCHEMBL727095 0.83 KDM1A (0.59) MEN1KMT2ASCN9AKDM1AMPL
SCHEMBL16798990 0.83 MEN1 (0.66) MEN1KMT2AKDM1AMPL
SCHEMBL8360832 0.80 MAPT (0.64) MEN1KMT2AKDM1AALDH1A1MAPT
SCHEMBL727070 0.78 MPL (0.49) MEN1KMT2AMAPK1ALOX15ALDH1A1
SCHEMBL8110979 0.78 KDM1A (0.61) MEN1KMT2AKDM1AMAPTMPL
SCHEMBL8356755 0.76 KDM1A (0.67) MEN1KMT2AMAPK1KMOSCN9A
SCHEMBL8360672 0.73 KMO (0.69) MEN1KMT2AMAPK1KMOKDM1A
SCHEMBL8360649 0.71 KDM1A (0.66) MEN1KMT2AMAPK1ALOX15KMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5958910-A Use of N-(4-aryl-thiazol-2-yl)-sulfonamides HOFFMANN-LA ROCHE INC. (US) 1999-09-28 US claimed
US-5877193-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS HOFFMANN-LA ROCHE INC. (US) 1999-03-02 US claimed
EP-0819681-A2 N-(4-Aryl-thiazol-2-yl)-sulfonamides and their use F. HOFFMANN-LA ROCHE AG (CH) 1998-01-21 EP claimed
WO-2015082900-A1 A CELLULAR DRUG SCREENING METHOD USING FACS AND LC-MS. THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2015-06-11 WO disclosed
US-5958910-A Use of N-(4-aryl-thiazol-2-yl)-sulfonamides HOFFMANN-LA ROCHE INC. (US) 1999-09-28 US disclosed
US-5877193-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS HOFFMANN-LA ROCHE INC. (US) 1999-03-02 US disclosed
EP-0819681-A2 N-(4-Aryl-thiazol-2-yl)-sulfonamides and their use F. HOFFMANN-LA ROCHE AG (CH) 1998-01-21 EP disclosed