SCHEMBL29329143

SCHEMBL29329143

CCOC(=O)C/C(=C/C(=N)C(F)F)NCc1ccc(OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.45
KMT2A Q03164 6/20 0.44
MEN1 O00255 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 5/20 0.44
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL28734183 0.74 KMT2A (0.49) EPHX2KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL18619183 0.73 ALDH1A1 (0.51) EPHX2KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL16382694 0.73 ALDH1A1 (0.53) EPHX2KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL2041326 0.71 PPID (0.72) EPHX2KMT2AMEN1L3MBTL1GLA
SCHEMBL10371406 0.70 PPID (0.58) EPHX2KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL10371407 0.70 PPID (0.58) EPHX2KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL18618468 0.70 ALDH1A1 (0.56) EPHX2KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL29450231 0.70 ALDH1A1 (0.56) EPHX2KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL20640886 0.69 KMT2A (0.45) EPHX2KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL18586119 0.69 ALDH1A1 (0.66) EPHX2KMT2AMEN1L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024149676-A1 HERBICIDAL PYRAZOLE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2024-07-18 WO disclosed