Hydrochlorthiazide

Hydrochlorthiazide

SCHEMBL9109038

Sc1nc2cc(Cl)ccc2s1.Sc1nc2cc(Cl)ccc2s1.Sc1nc2cc(Cl)ccc2s1.Sc1nc2cc(Cl)ccc2s1.c1cscn1.c1cscn1.c1cscn1.c1cscn1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
IDO1 P14902 1/20 0.43
HDAC6 Q9UBN7 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
PPARA Q07869 5/20 0.36
TMEM97 Q5BJF2 2/20 0.35
DRD4 P21917 2/20 0.34
DRD3 P35462 2/20 0.34
DRD2 P14416 1/20 0.34

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
SCHEMBL29619570 0.84 SMN1; SMN2 (0.56) SMN1; SMN2NPSR1LOXL2IDO1HDAC6
SCHEMBL347929 0.84 SMN1; SMN2 (0.56) SMN1; SMN2NPSR1LOXL2IDO1HDAC6
SCHEMBL1880580 0.83 SMN1; SMN2 (0.54) SMN1; SMN2NPSR1LOXL2IDO1HDAC6
SCHEMBL11280915 0.80 SMN1; SMN2 (0.51) SMN1; SMN2NPSR1LOXL2IDO1HDAC6
2-Mercaptobenzothiazole SCHEMBL1943715 0.79 NPC1 (0.42) SMN1; SMN2IDO1NPC1RAB9AGAA
SCHEMBL9153184 0.72 SMN1; SMN2 (0.82) SMN1; SMN2NPSR1LOXL2IDO1PPARA
Benzo[D]Thiazole SCHEMBL27661472 0.72 ALDH1A1 (0.51) SMN1; SMN2NPSR1LOXL2IDO1HDAC6
SCHEMBL3100845 0.71 NPC1 (0.56) SMN1; SMN2NPC1RAB9AGAAPPARA
SCHEMBL9156573 0.70 SMN1; SMN2 (0.60) SMN1; SMN2NPSR1NPC1RAB9AMGAM
SCHEMBL11063766 0.70 NPC1 (0.54) SMN1; SMN2NPC1RAB9AGAAPPARA

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-0527186-A4 UNIV ILLINOIS (US) 1995-01-18 EP disclosed
EP-0527186-A1 PHOTODYNAMIC PLANT DEFOLIANTS AND CHLOROPHYLL BIOSYNTHESIS MODULATORS The Board of Trustees for the University of Illinois (US) 1993-02-17 EP disclosed
WO-1991016820-A1 PHOTODYNAMIC PLANT DEFOLIANTS AND CHLOROPHYLL BIOSYNTHESIS MODULATORS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 1991-11-14 WO disclosed