SCHEMBL9831411

SCHEMBL9831411

Cc1cccc([N+](=O)[O-])c1NS(=O)(=O)c1nc2nccc(C)n2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 4/20 0.40
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 4/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.37
MDM4 O15151 1/20 0.36
NFKBIA P25963 1/20 0.36
OPRK1 P41145 1/20 0.36
MDM2 Q00987 1/20 0.36
RELA Q04206 1/20 0.36
SLC40A1 Q9NP59 1/20 0.36

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
SCHEMBL9830194 0.87 KDM4E (0.39) ALDH1A1SMN1; SMN2L3MBTL1NPC1RAB9A
SCHEMBL8824776 0.86 TSHR (0.56) ALDH1A1SMN1; SMN2PKMTSHRKMT2A
SCHEMBL9832015 0.84 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2L3MBTL1NPC1RAB9A
SCHEMBL10665658 0.84 HPGD (0.43) SMN1; SMN2TSHRKDM4EKMT2AMEN1
SCHEMBL9831918 0.82 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2L3MBTL1NPC1RAB9A
SCHEMBL9831332 0.82 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2L3MBTL1NPC1RAB9A
SCHEMBL9832159 0.82 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2L3MBTL1NPC1RAB9A
SCHEMBL8374481 0.79 TSHR (0.36) ALDH1A1SMN1; SMN2L3MBTL1TSHRKMT2A
SCHEMBL9831827 0.79 ACLY (0.50) ALDH1A1SMN1; SMN2L3MBTL1NPC1RAB9A
SCHEMBL9831951 0.79 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2L3MBTL1NPC1RAB9A

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 8 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
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
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