Benzthiazide

Benzthiazide

SCHEMBL2452168

CC(C)CC(N)C(=O)O.NS(=O)(=O)c1cc2c(cc1Cl)N=C(CSCc1ccccc1)NS2(=O)=O

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SLC12A3

The experimentally established mechanism targets of Benzthiazide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
NR1I2 O75469 1/20 0.51
ABCB11 O95342 1/20 0.51
CYP3A4 P08684 1/20 0.51
ADRA2A P08913 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
PKM P14618 1/20 0.51
TSHR P16473 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CA1 P00915 12/20 0.40
CA2 P00918 12/20 0.40
CA12 O43570 11/20 0.40
CA6 P23280 11/20 0.40
CA7 P43166 11/20 0.40

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
Benzthiazide SCHEMBL2449654 1.00 ALDH1A1 (0.51) ALDH1A1KDM4EMEN1NR1I2ABCB11
Benzthiazide SCHEMBL198231 0.90 ALDH1A1 (0.52) ALDH1A1KDM4EMEN1NR1I2ABCB11
Benzthiazide SCHEMBL936396 0.89 ALDH1A1 (0.49) ALDH1A1KDM4EMEN1NR1I2ABCB11
Benzthiazide SCHEMBL26257 0.88 ALDH1A1 (0.63) ALDH1A1KDM4EMEN1NR1I2ABCB11
Benzthiazide SCHEMBL2376967 0.87 ALDH1A1 (0.58) ALDH1A1KDM4EMEN1NR1I2ABCB11
Benzthiazide SCHEMBL1276519 0.87 ALDH1A1 (0.60) ALDH1A1KDM4EMEN1NR1I2ABCB11
Benzthiazide SCHEMBL9517821 0.87 ALDH1A1 (0.62) ALDH1A1KDM4EMEN1NR1I2ABCB11
Benzthiazide SCHEMBL345215 0.87 ALDH1A1 (0.62) ALDH1A1KDM4EMEN1NR1I2ABCB11
Benzthiazide SCHEMBL7217920 0.87 ALDH1A1 (0.62) ALDH1A1KDM4EMEN1NR1I2ABCB11
Benzthiazide SCHEMBL7102453 0.87 ALDH1A1 (0.62) ALDH1A1KDM4EMEN1NR1I2ABCB11

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
EP-1697531-B1 PROCESS FOR PREPARING L-AMINO ACIDS USING STRAINS OF THE ENTEROBACTERIACEAE FAMILY EVONIK DEGUSSA GMBH (DE) 2016-05-18 EP claimed
EP-1611245-B1 PROCESS FOR THE PRODUCTION OF L-THREONINE USING STRAINS OF THE ENTEROBACTERIACEAE FAMILY WHICH CONTAIN AN ENHANCE YFIDD ORF AND/OR PFLD GENE EVONIK DEGUSSA GMBH (DE) 2015-09-09 EP claimed
EP-1706482-B1 PROCESS FOR THE PREPARATION OF L-AMINO ACIDS USING STRAINS OF THE ENTEROBACTERIACEAE FAMILY EVONIK DEGUSSA GMBH (DE) 2015-07-22 EP claimed
EP-1776451-B1 METHOD FOR THE PRODUCTION OF L-AMINO ACIDS USING STRAINS FROM THE ENTEROBACTERACEAE FAMILY EVONIK DEGUSSA GMBH (DE) 2011-09-14 EP claimed
EP-1483392-B1 PROCESS FOR THE PREPARATION OF L-AMINO ACIDS USING STRAINS OF THE FAMILY ENTEROBACTERIACEAE EVONIK DEGUSSA GMBH (DE) 2010-12-01 EP claimed
EP-1697530-B1 PROCESS FOR PREPARING L-AMINO ACIDS USING STRAINS OF THE ENTEROBACTERIACEAE FAMILY EVONIK DEGUSSA GMBH (DE) 2010-03-31 EP claimed
EP-1608764-B1 A PROCESS FOR THE PRODUCTION OF L-AMINO ACIDS USING STRAINS OF THE ENTEROBACTERIACEAE FAMILY WHICH OVEREXPRESS THE GALP GENE, CODING FOR A GALACTOSE PROTON SYMPORTER EVONIK DEGUSSA GMBH (DE) 2007-12-26 EP claimed