SCHEMBL8322882

SCHEMBL8322882

CCn1cc(N)c(C(F)(F)F)n1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.35
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.33
LRRK2 Q5S007 2/20 0.33
CYP1A2 P05177 1/20 0.33
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
PIK3CA P42336 1/20 0.31
MEN1 O00255 1/20 0.30
CASP1 P29466 1/20 0.30
KMT2A Q03164 1/20 0.30
ESR2 Q92731 1/20 0.30
HSD17B10 Q99714 1/20 0.30
COMT P21964 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
SCHEMBL21087547 0.82 LRRK2 (0.43) POLBLRRK2CYP1A2HTT
SCHEMBL18078792 0.81 IRAK4 (0.30) POLB
SCHEMBL17076655 0.79 LRRK2 (0.36) ALDH1A1POLBLRRK2
SCHEMBL6989663 0.78 LRRK2 (0.36) RECQLALDH1A1KDM4ENPC1LRRK2
SCHEMBL18049648 0.78 IRAK4 (0.32)
SCHEMBL17076862 0.78 LRRK2 (0.44) ALDH1A1POLBLRRK2CYP1A2TDP1
SCHEMBL24013536 0.77 LRRK2 (0.33) RECQLALDH1A1KDM4ENPC1LRRK2
SCHEMBL21281610 0.77 HTT (0.35) RECQLALDH1A1KDM4EPOLBNPC1
SCHEMBL17066899 0.77 NPC1 (0.44) RECQLALDH1A1KDM4ENPC1LRRK2
SCHEMBL24240629 0.77 L3MBTL1 (0.40) RECQLALDH1A1KDM4ENPC1LRRK2

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