SCHEMBL7209149

SCHEMBL7209149

O=S(=O)(Cc1ccccc1)c1nc2ccccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
TP53 P04637 3/20 0.59
L3MBTL1 Q9Y468 1/20 0.58
XDH P47989 1/20 0.52
GAA P10253 2/20 0.50
HSD17B10 Q99714 4/20 0.49
HTT P42858 3/20 0.49
KDM4E B2RXH2 3/20 0.49
HPGD P15428 2/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 6/20 0.49
NPC1 O15118 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
AR P10275 2/20 0.45
MAPK1 P28482 2/20 0.44
ABCB11 O95342 1/20 0.43
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL31325519 0.88 L3MBTL1 (0.53) ALDH1A1TP53L3MBTL1XDHHSD17B10
SCHEMBL8554234 0.83 MAPT (0.56) ALDH1A1TP53L3MBTL1XDHGAA
SCHEMBL8554228 0.83 XDH (0.46) ALDH1A1TP53L3MBTL1XDHGAA
SCHEMBL13220098 0.81 L3MBTL1 (0.64) ALDH1A1TP53L3MBTL1HSD17B10KDM4E
SCHEMBL4347942 0.80 ALDH1A1 (0.56) ALDH1A1TP53L3MBTL1GAAHSD17B10
SCHEMBL11149896 0.80 L3MBTL1 (0.67) ALDH1A1TP53L3MBTL1GAAHSD17B10
SCHEMBL330024 0.79 L3MBTL1 (0.70) ALDH1A1TP53L3MBTL1GAAHSD17B10
SCHEMBL9509578 0.79 L3MBTL1 (0.53) ALDH1A1TP53L3MBTL1GAAHSD17B10
SCHEMBL8559047 0.79 RIPK1 (0.62) ALDH1A1L3MBTL1HTTKDM4ELMNA
SCHEMBL8559038 0.79 ALDH1A1 (0.53) ALDH1A1XDHGAAHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10908162-B2 Methods related to volatile compounds in genitourinary cancers THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-02-02 US claimed
US-20190128890-A1 METHODS RELATED TO VOLATILE COMPOUNDS IN GENITOURINARY CANCERS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-05-02 US claimed
US-10908162-B2 Methods related to volatile compounds in genitourinary cancers THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-02-02 US disclosed
US-20190128890-A1 METHODS RELATED TO VOLATILE COMPOUNDS IN GENITOURINARY CANCERS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-05-02 US disclosed
US-6607742-B2 Suppository composition which is a spray-dried suspension of an acid-labile proton pump inhibitor in a solvent solution of a sterol and polymer ALTANA PHARMA AG (DE) 2003-08-19 US disclosed
US-20020090397-A1 Novel suppository form comprising an acid-labile active compound BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH 2002-07-11 US disclosed