SCHEMBL9832015

SCHEMBL9832015

Cc1ccc(C)c([N+](=O)[O-])c1NS(=O)(=O)c1nc2nccc(C)n2n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
KMT2A Q03164 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 1/20 0.37
GAA P10253 1/20 0.36
SLC40A1 Q9NP59 1/20 0.36
CYTH2 Q99418 1/20 0.35
HSP90AA1 P07900 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL9831549 0.85 TSHR (0.53) ALDH1A1KMT2APKMTSHRLMNA
SCHEMBL9831411 0.84 ALDH1A1 (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL9830194 0.84 KDM4E (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL10664315 0.82 HPGD (0.42) ALDH1A1SMN1; SMN2L3MBTL1TSHRKDM4E
SCHEMBL9831457 0.79 ALDH1A1 (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL9830467 0.79 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2L3MBTL1KMT2ATSHR
SCHEMBL9834150 0.78 ALDH1A1 (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL9831994 0.77 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2KMT2ATSHRLMNA
SCHEMBL9831918 0.77 ALDH1A1 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL9831332 0.77 ALDH1A1 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1

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 9 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-0217748-B1 2-Substituted-e-fused-[1,2,4,]triazolo-[1,5-c]pyrimidines pharmaceutical compositions and uses thereof CIBA-GEIGY AG (CH) 1991-02-06 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