SCHEMBL9833398

SCHEMBL9833398

C=CCOC(=O)c1cccc(C)c1NS(=O)(=O)c1nc2nc(C)ccn2n1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 1/20 0.35
THRB P10828 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
ACLY P53396 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32

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
SCHEMBL9832726 0.90 TP53 (0.40) SMN1; SMN2TSHRALDH1A1HSD17B10LMNA
SCHEMBL10660903 0.88 HPGD (0.42) CYP3A4SMN1; SMN2TSHRALDH1A1HSD17B10
SCHEMBL9831464 0.86 TSHR (0.39) SMN1; SMN2TSHRALDH1A1LMNAMEN1
SCHEMBL10664535 0.85 CYP3A4 (0.37) CYP3A4SMN1; SMN2TSHRALDH1A1HSD17B10
SCHEMBL8355022 0.85 TSHR (0.35) TSHRALDH1A1L3MBTL1MEN1MAPT
SCHEMBL9832814 0.85 TP53 (0.35) SMN1; SMN2TSHRALDH1A1HSD17B10THRB
SCHEMBL9831652 0.85 TSHR (0.51) CYP3A4SMN1; SMN2TSHRALDH1A1HSD17B10
SCHEMBL10663747 0.84 ACLY (0.37) CYP3A4SMN1; SMN2TSHRALDH1A1LMNA
SCHEMBL9833209 0.84 CYP3A4 (0.37) CYP3A4SMN1; SMN2TSHRALDH1A1HSD17B10
SCHEMBL9831995 0.82 LMNA (0.35) SMN1; SMN2ALDH1A1LMNAL3MBTL1MAPT

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
EP-0142152-B1 Novel substituted 1,2,4-triazolo- [1,5-a] pyrimidine-2-sulfonamides and compositions and methods of controlling undesired vegetation and suppressing the nitrification of ammonium nitrogen in soil THE DOW CHEMICAL COMPANY (US) 1991-03-20 EP claimed
EP-0142152-B1 Novel substituted 1,2,4-triazolo- [1,5-a] pyrimidine-2-sulfonamides and compositions and methods of controlling undesired vegetation and suppressing the nitrification of ammonium nitrogen in soil THE DOW CHEMICAL COMPANY (US) 1991-03-20 EP disclosed
EP-0330137-A1 Intermediate compounds for the preparation of 1,2,4-triazolo [1,5-a]pyrimidine-2-sulfonamides DowElanco (US) 1989-08-30 EP disclosed
US-4755212-A Novel substituted 1,2,4-triazolo[1,5-a]pyrimidine-2-sulfonamides and compositions and method for inhibiting pollen formation in corn THE DOW CHEMICAL COMPANY (US) 1988-07-05 US disclosed
US-4741764-A SUPPRESSION OF NITRIFICATION OF AMMONIUM NITROGEN IN THE SOIL THE DOW CHEMICAL COMPANY (US) 1988-05-03 US disclosed
US-4740233-A Substituted 1,2,4-triazolo[1,5-a]-pyrimidine-2-sulfonamides and compositions and methods of controlling undesired vegetation and suppressing the nitrification of ammonium nitrogen in soil THE DOW CHEMICAL COMPANY (US) 1988-04-26 US disclosed