SCHEMBL7014552

SCHEMBL7014552

O=[N+]([O-])c1cccn2nc(SCc3ccccc3)nc12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CTSB P07858 3/20 0.47
EGFR P00533 1/20 0.44
GSTP1 P09211 1/20 0.43
GSTM2 P28161 1/20 0.43
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
METAP2 P50579 1/20 0.39
CNR2 P34972 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL7013765 0.78 RAB9A (0.57) RAB9ANPC1MEN1KMT2AHSD17B10
SCHEMBL7016465 0.78 RAB9A (0.57) RAB9ANPC1MEN1KMT2ACTSB
SCHEMBL8825756 0.71 RAB9A (0.59) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL7018170 0.71 RAB9A (0.62) RAB9ANPC1MEN1KMT2AHSD17B10
SCHEMBL8825876 0.70 RAB9A (0.58) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL5376331 0.69 MEN1 (0.65) MEN1KMT2ACTSBEGFRGSTP1
SCHEMBL9832053 0.68 RAB9A (1.00) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL9832506 0.67 NPC1 (0.58) RAB9ANPC1MEN1KMT2ACTSB
SCHEMBL393514 0.66 MEN1 (1.00) RAB9ANPC1MEN1KMT2AEGFR
SCHEMBL30498938 0.66 MEN1 (1.00) RAB9ANPC1MEN1KMT2AEGFR

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-0972774-B1 2-Benzylthio-8-amino(1,2,4)triazolo(1,5-a)pyridines DOW AGROSCIENCES LLC (US) 2003-02-26 EP disclosed
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
EP-0789698-B1 N-(1-ETHYL-4-PYRAZOLYL)TRIAZOLOAZINESULFONAMIDE HERBICIDES DOW AGROSCIENCES LLC (US) 1999-07-07 EP disclosed
EP-0789698-A1 N-(1-ETHYL-4-PYRAZOLYL)TRIAZOLOAZINESULFONAMIDE HERBICIDES DOWELANCO (US) 1997-08-20 EP disclosed
WO-1997008172-A1 N-(1-ETHYL-4-PYRAZOLYL)TRIAZOLOAZINESULFONAMIDE HERBICIDES DOWELANCO (US) 1997-03-06 WO 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