SCHEMBL8324291

SCHEMBL8324291

CCn1nc(C(F)(F)F)c([N+](=O)[O-])c1C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 2/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
CCR1 P32246 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
RECQL P46063 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
PKM P14618 1/20 0.33
ATM Q13315 1/20 0.33

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 0.84 MAPT (0.33) SMN1; SMN2POLBKMT2AMEN1CCR1
SCHEMBL31081858 0.83 ALDH1A1 (0.36) SMN1; SMN2POLBHTTKMT2AMEN1
SCHEMBL8325428 0.80 MAPT (0.36) SMN1; SMN2KMT2AMEN1CCR1MAPT
SCHEMBL16832615 0.78 LMNA (0.51) SMN1; SMN2POLBKMT2ALMNAALDH1A1
SCHEMBL16833019 0.77 SLC2A1 (0.48) MAPT
SCHEMBL16832544 0.76 CYP1A2 (0.37) SMN1; SMN2LMNAALDH1A1
SCHEMBL18320582 0.76 CYP1A2 (0.41) SMN1; SMN2KMT2AMEN1LMNAALDH1A1
SCHEMBL16832211 0.75 TDP1 (0.39) SMN1; SMN2HTTKMT2AMEN1CCR1
SCHEMBL16832143 0.75 RAB9A (0.56) SMN1; SMN2HTTKMT2AMEN1CCR1
SCHEMBL16832854 0.75 ALDH1A1 (0.43) SMN1; SMN2HTTCCR1LMNAALDH1A1

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