SCHEMBL8322237

SCHEMBL8322237

CCn1nc(C(F)(F)F)c(C(N)=O)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
RECQL P46063 1/20 0.43
LMNA P02545 3/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
CYP2C9 P11712 1/20 0.34
NLRP3 Q96P20 1/20 0.33
CCR1 P32246 4/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC2A1 P11166 1/20 0.32
SLC2A3 P11169 1/20 0.32
SLC2A4 P14672 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
SCHEMBL8323455 0.86 KDM4E (0.40) KDM4ERECQLLMNAGAAMEN1
SCHEMBL5282340 0.79 MEN1 (0.55) KDM4ERECQLLMNAMEN1KMT2A
SCHEMBL8327318 0.75 KDM4E (0.38) KDM4ERECQLLMNAPOLB
SCHEMBL20551143 0.73 KDM4E (0.38) KDM4ERECQLLMNAGAAALDH1A1
SCHEMBL939241 0.71 KDM4E (0.35) KDM4ERECQLCYP1A2CYP2C19CYP2C9
SCHEMBL9219783 0.70 KDM4E (0.38) KDM4ERECQLLMNAGAAMEN1
SCHEMBL31081858 0.69 ALDH1A1 (0.36) KDM4ERECQLLMNAMEN1KMT2A
SCHEMBL22286228 0.69 MAPK1 (0.46) KDM4ERECQLLMNAGAAMEN1
SCHEMBL16200178 0.68 KDM4E (0.44) KDM4ERECQLNLRP3CCR1TDP1
SCHEMBL29658144 0.68 MEN1 (0.35) KDM4ERECQLLMNAGAAMEN1

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 2 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