SCHEMBL9938773

SCHEMBL9938773

COC(=O)c1nc(-c2ccc(OC(F)(F)F)cc2N)cc(N)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CFTR P13569 6/20 0.38
JAK2 O60674 1/20 0.37
CYP2C9 P11712 1/20 0.37
PTGES O14684 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
DYRK1A Q13627 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
EIF4E P06730 1/20 0.35
PIM1 P11309 1/20 0.35
KDM4E B2RXH2 2/20 0.35
NQO2 P16083 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
PKM P14618 1/20 0.34
RCE1 Q9Y256 1/20 0.34

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
SCHEMBL27922410 0.91 JAK2 (0.39) CFTRJAK2CYP2C9ADORA3DYRK1A
SCHEMBL9939645 0.88 KDM4E (0.44) CYP2C9ADORA3KDM4ENQO2GAA
SCHEMBL2469959 0.86 ADORA3 (0.50) PTGESADORA3L3MBTL1KDM4ESCN10A
SCHEMBL9938104 0.83 ALPL (0.41) L3MBTL1KDM4ENQO2PKMRCE1
SCHEMBL9938790 0.83 ABL1 (0.51) L3MBTL1KDM4ENQO2PKMRCE1
SCHEMBL9939145 0.82 CYP46A1 (0.42) L3MBTL1IRAK4KDM4ENQO2GAA
SCHEMBL9939346 0.82 KDM4E (0.48) L3MBTL1KDM4ENQO2GAAKMT2A
SCHEMBL16076597 0.80 CFTR (0.38) CFTRL3MBTL1KDM4ENQO2PKM
SCHEMBL3327037 0.80 CFTR (0.48) CFTREIF4EKDM4ENQO2MRGPRX4
SCHEMBL9939744 0.79 ALDH1A1 (0.43) CFTRPTGESL3MBTL1KDM4ENQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2665710-A1 6-(2-AMINOPHENYL)PICOLINATES AND THEIR USE AS HERBICIDES Bayer Intellectual Property GmbH (DE) 2013-11-27 EP disclosed
CN-103380116-A 6-(2-aminophenyl)picolinates and their use as herbicides BAYER IP GMBH 2013-10-30 CN disclosed
WO-2012080187-A1 6-(2-AMINOPHENYL)PICOLINATES AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2012-06-21 WO disclosed