SCHEMBL8323455

SCHEMBL8323455

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
RECQL P46063 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 3/20 0.36
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
CYP2C9 P11712 1/20 0.35
CCR1 P32246 1/20 0.35
NLRP3 Q96P20 1/20 0.34
NPC1 O15118 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL8322237 0.86 KDM4E (0.43) KDM4ERECQLMEN1KMT2ASMN1; SMN2
SCHEMBL9219783 0.84 KDM4E (0.38) KDM4ERECQLMEN1KMT2ASMN1; SMN2
SCHEMBL20551143 0.81 KDM4E (0.38) KDM4ERECQLGAALMNATSHR
SCHEMBL841261 0.78 MEN1 (0.56) KDM4ERECQLMEN1KMT2ASMN1; SMN2
SCHEMBL9218403 0.77 LMNA (0.34) KDM4ERECQLMEN1KMT2AGAA
Hydrochloric Acid SCHEMBL6737822 0.77 MEN1 (0.55) KDM4ERECQLMEN1KMT2ASMN1; SMN2
SCHEMBL2363098 0.73 NPC1 (0.42) KDM4ERECQLGAALMNATSHR
SCHEMBL8327318 0.73 KDM4E (0.38) KDM4ERECQLLMNAPOLB
SCHEMBL939241 0.72 KDM4E (0.35) KDM4ERECQLCYP1A2CYP2C19CYP2C9
SCHEMBL9116719 0.71 MEN1 (0.32) KDM4ERECQLMEN1KMT2ASMN1; SMN2

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