SCHEMBL9832140

SCHEMBL9832140

Cc1ccn2nc(S(=O)(=O)Nc3c([N+](=O)[O-])ccc(C)c3C)nc2n1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.34
NFKBIA P25963 1/20 0.33
RELA Q04206 1/20 0.33
CCNT1 O60563 1/20 0.33
FLT3 P36888 1/20 0.33
PIK3CA P42336 1/20 0.33
CDK7 P50613 1/20 0.33
CDK9 P50750 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
CCR2 P41597 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 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
SCHEMBL8355381 0.87 NFKBIA (0.40) SMN1; SMN2NFKBIARELAALDH1A1TSHR
SCHEMBL10666838 0.85 HPGD (0.41) SMN1; SMN2NFKBIARELAALDH1A1KMT2A
SCHEMBL9831994 0.84 ALDH1A1 (0.38) SMN1; SMN2CCNT1FLT3PIK3CACDK7
SCHEMBL9832764 0.82 TSHR (0.51) ALDH1A1TSHR
SCHEMBL10665650 0.81 AGTR1 (0.33) ALDH1A1KMT2AMEN1KDM4ETSHR
SCHEMBL9832434 0.81 KDM4E (0.34) SMN1; SMN2NFKBIARELAALDH1A1KMT2A
SCHEMBL9832747 0.79 CCR2 (0.35) ALDH1A1KMT2AMEN1CCR2KDM4E
SCHEMBL9833689 0.79 ACLY (0.36) ALDH1A1KMT2AMEN1KDM4ETSHR
SCHEMBL9830194 0.78 KDM4E (0.39) SMN1; SMN2ALDH1A1KMT2AMEN1KDM4E
SCHEMBL10664472 0.78 TSHR (0.39) NFKBIARELAALDH1A1KDM4EGAA

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-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-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
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-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