SCHEMBL8325428

SCHEMBL8325428

CCn1nc(C(F)(F)F)c([N+](=O)[O-])c1OC

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HPGD P15428 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 2/20 0.30
CCR1 P32246 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL11130545 0.80 MAPT (0.33) MAPTMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL8324291 0.80 SMN1; SMN2 (0.38) MAPTMEN1KMT2ANPSR1NPC1
SCHEMBL31081858 0.79 ALDH1A1 (0.36) MAPTMEN1KMT2ANPSR1HPGD
SCHEMBL8325471 0.73 HPGD (0.33) HPGD
SCHEMBL8803385 0.68
SCHEMBL5278824 0.66 ALDH1A1 (0.35) NPC1ALDH1A1
SCHEMBL16832375 0.66 RAB9A (0.42) MAPTMEN1KMT2ANPSR1NPC1
SCHEMBL16833034 0.64 DCTPP1 (0.41) MAPT
SCHEMBL8962070 0.64 PTGS1 (0.40) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8952165 0.64 PKM (0.46) MAPTNPSR1NPC1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0789698-B1 N-(1-ETHYL-4-PYRAZOLYL)TRIAZOLOAZINESULFONAMIDE HERBICIDES DOW AGROSCIENCES LLC (US) 1999-07-07 EP disclosed
US-5763359-A N-(1-ethyl-4-pyrazolyl)triazoloazinesulfonamide herbicides DOW AGROSCIENCES LLC (US) 1998-06-09 US 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