SCHEMBL21691028

SCHEMBL21691028

O=C(CCO)NCC(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.41
KDM4E B2RXH2 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
GAA P10253 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
PKM P14618 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
Hydrochloric Acid SCHEMBL28865405 0.85 KDM4E (0.38) NAAAKDM4ESMN1; SMN2LMNAPOLB
SCHEMBL2035994 0.83 KDM4E (0.39) KDM4ESMN1; SMN2LMNAPOLBL3MBTL1
SCHEMBL5146605 0.80 LMNA (0.39) KDM4ESMN1; SMN2LMNAPOLBL3MBTL1
SCHEMBL1751431 0.79 KDM4E (0.40) KDM4ESMN1; SMN2LMNAPOLBL3MBTL1
SCHEMBL28105053 0.79 KDM4E (0.37) KDM4ESMN1; SMN2LMNAPOLBL3MBTL1
SCHEMBL27915986 0.79 SMN1; SMN2 (0.40) KDM4ESMN1; SMN2LMNAPOLBL3MBTL1
SCHEMBL4565411 0.79 CASP2 (0.47) KDM4ELMNAPOLBL3MBTL1ALDH1A1
SCHEMBL13407576 0.77 CNR1 (0.39) KDM4ESMN1; SMN2LMNAPOLBL3MBTL1
Hydrochloric Acid SCHEMBL5707324 0.77 CASP2 (0.45) KDM4ELMNAPOLBL3MBTL1ALDH1A1
SCHEMBL30181819 0.77 CNR1 (0.39) KDM4ESMN1; SMN2LMNAPOLBL3MBTL1

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-3611165-B1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) 2023-08-16 EP disclosed
WO-2020022412-A1 PYRIDONE COMPOUND AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT 三井化学アグロ株式会社 2020-01-30 WO disclosed