SCHEMBL7849607

SCHEMBL7849607

Cc1cc(OCC(F)(F)F)n2nc(S(=O)(=O)Nc3c(C)cccc3[N+](=O)[O-])nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKBIA P25963 3/20 0.33
RELA Q04206 3/20 0.33
CFTR P13569 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SLC40A1 Q9NP59 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 2/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
AGTR1 P30556 1/20 0.32
OPRK1 P41145 1/20 0.32
MAPT P10636 3/20 0.32
ALDH1A1 P00352 2/20 0.32
LCK P06239 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 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
SCHEMBL7848907 0.89 MEN1 (0.37) NFKBIARELAKDM4ESMN1; SMN2GAA
SCHEMBL7841680 0.81 MEN1 (0.39) NFKBIARELASMN1; SMN2GAAMEN1
SCHEMBL7848967 0.76 AGTR1 (0.35) NFKBIARELAKDM4ESMN1; SMN2GAA
SCHEMBL10663596 0.75 TSHR (0.43) NFKBIARELAKDM4ESMN1; SMN2MAPT
SCHEMBL10473579 0.74 TSHR (0.35) KDM4ESMN1; SMN2GAAMEN1KMT2A
SCHEMBL10397567 0.72 TSHR (0.40) RELAKDM4ESLC40A1SMN1; SMN2GAA
SCHEMBL7851003 0.72 TSHR (0.36) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL9831411 0.72 ALDH1A1 (0.41) NFKBIARELAKDM4ESLC40A1SMN1; SMN2
SCHEMBL8824776 0.71 TSHR (0.56) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL7849670 0.69 GAA (0.44) SLC40A1SMN1; SMN2GAAKMT2ALMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0717743-B1 N-ARYL 1,2,4]TRIAZOLO 1,5-a]PYRIDINE-2-SULFONAMIDE HERBICIDES DOW AGROSCIENCES LLC (US) 2001-11-14 EP disclosed
EP-0972774-A2 2-Benzylthio-8-amino(1,2,4)triazolo(1,5-pyridines Dow AgroSciences LLC (US) 2000-01-19 EP disclosed
US-5571775-A EFFECTIVE ON A BROAD SPECTRUM OF VEGETATION AT LOW APPLICATION RATES DOWELANCO (US) 1996-11-05 US disclosed
EP-0717743-A1 N-ARYL 1,2,4]TRIAZOLO 1,5-a]PYRIDINE-2-SULFONAMIDE HERBICIDES DOWELANCO (US) 1996-06-26 EP disclosed
WO-1996001826-A1 N-ARYL[1,2,4]TRIAZOLO[1,5-a]PYRIDINE-2-SULFONAMIDE HERBICIDES DOWELANCO (US) 1996-01-25 WO disclosed