SCHEMBL7848967

SCHEMBL7848967

COc1cc(C)cc2nc(S(=O)(=O)Nc3c([N+](=O)[O-])ccc(C)c3C)nn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
ALDH1A1 P00352 3/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA3 P34903 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
LMNA P02545 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NFKBIA P25963 1/20 0.33
RELA Q04206 1/20 0.33
MAPK1 P28482 2/20 0.33
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL10397333 0.81 TSHR (0.36) AGTR1KDM4ETSHRKMT2AMEN1
SCHEMBL7848907 0.79 MEN1 (0.37) AGTR1KDM4EKMT2AMEN1ALDH1A1
SCHEMBL7850191 0.77 FFAR4 (0.40) TSHRKMT2AMEN1ALDH1A1GABRG2
SCHEMBL7850649 0.77 TSHR (0.41) TSHRFFAR4SMN1; SMN2
SCHEMBL9832764 0.76 TSHR (0.51) TSHRALDH1A1POLBPKMLMNA
SCHEMBL7849607 0.76 NFKBIA (0.33) AGTR1KDM4EKMT2AMEN1ALDH1A1
SCHEMBL7851018 0.76 TSHR (0.35) KDM4ETSHRALDH1A1GABRG2GABRB3
SCHEMBL7840638 0.76 TSHR (0.35) KDM4ETSHRKMT2AMEN1ALDH1A1
SCHEMBL9830194 0.75 KDM4E (0.39) KDM4ETSHRKMT2AMEN1ALDH1A1
SCHEMBL7841680 0.75 MEN1 (0.39) AGTR1TSHRKMT2AMEN1ALDH1A1

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