SCHEMBL9830467

SCHEMBL9830467

Cc1cnc2nc(S(=O)(=O)Nc3c(C)ccc(C)c3[N+](=O)[O-])nn2c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 2/20 0.33
HSP90AA1 P07900 2/20 0.32
CRHBP P24387 2/20 0.32
CRHR2 Q13324 2/20 0.32
TSHR P16473 1/20 0.32
EGFR P00533 1/20 0.31
ERBB2 P04626 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NFKBIA P25963 1/20 0.30
RELA Q04206 1/20 0.30

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
SCHEMBL8359977 0.86 LCK (0.38) ALDH1A1KDM4ETSHRLMNASMN1; SMN2
SCHEMBL9832434 0.86 KDM4E (0.34) ALDH1A1KDM4ECRHBPCRHR2SMN1; SMN2
SCHEMBL10664315 0.83 HPGD (0.42) ALDH1A1KDM4ETSHRLMNASMN1; SMN2
SCHEMBL10660574 0.82 TSHR (0.33) ALDH1A1TSHRKMT2A
SCHEMBL9831994 0.81 ALDH1A1 (0.38) ALDH1A1TSHRLMNASMN1; SMN2KMT2A
SCHEMBL9831353 0.81 KMT2A (0.32) L3MBTL1KMT2A
SCHEMBL9831767 0.80 SLC40A1 (0.31) TSHRL3MBTL1TDP1
SCHEMBL8358795 0.79 SLC40A1 (0.36) ALDH1A1TSHRSMN1; SMN2KMT2A
SCHEMBL9832376 0.79 KCNQ3 (0.32)
SCHEMBL9832446 0.79 ALDH1A1 (0.33) ALDH1A1LMNAL3MBTL1KMT2A

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 15 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-A2 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) 1985-05-22 EP claimed
EP-0434714-A1 IN POSITION 3 SUBSTITUTED-5-BETA-AMIDOMETHYL-OXAZOLIDIN-2-ONES THE UPJOHN COMPANY (US) 1991-07-03 EP disclosed
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-0258289-A4 PEPTIDE ANALOGS 1991-01-02 EP disclosed
WO-1990002744-A1 IN POSITION 3 SUBSTITUTED-5-BETA-AMIDOMETHYL-OXAZOLIDIN-2-ONES THE UPJOHN COMPANY (US) 1990-03-22 WO 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-4826958-A HYPOTENSIVE AGENTS ABBOTT LABORATORIES (US) 1989-05-02 US 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
EP-0258289-A1 PEPTIDE ANALOGS ABBOTT LABORATORIES (US) 1988-03-09 EP disclosed
WO-1987004349-A1 PEPTIDE ANALOGS DELLARIA JOSEPH 1987-07-30 WO disclosed
EP-0184855-A2 Resin inhibiting compounds ABBOTT LABORATORIES (US) 1986-06-18 EP disclosed
EP-0142152-A2 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) 1985-05-22 EP disclosed