SCHEMBL29328927

SCHEMBL29328927

N=C(I)/C=C\Nc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.49
NPC1 O15118 8/20 0.49
SMN1; SMN2 Q16637 7/20 0.49
KMT2A Q03164 6/20 0.49
MEN1 O00255 4/20 0.49
STAT1 P42224 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 9/20 0.46
TP53 P04637 2/20 0.46
PKM P14618 1/20 0.46
KDM4E B2RXH2 5/20 0.45
GAA P10253 3/20 0.45
APP P05067 1/20 0.45
SNCA P37840 1/20 0.45
BRCA1 P38398 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA9 Q16790 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL14326968 0.81 L3MBTL1 (0.51) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL19192553 0.81 RAB9A (0.49) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL23176353 0.77 L3MBTL1 (0.48) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL15060596 0.77 L3MBTL1 (0.48) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL16866011 0.73 L3MBTL1 (0.44) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL13017071 0.73 L3MBTL1 (0.44) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL16361384 0.69 KMT2A (0.41) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL12457396 0.68 RAB9A (0.77) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL12457476 0.68 RAB9A (0.77) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL13818699 0.68 ALDH1A1 (0.40) RAB9ANPC1SMN1; SMN2KMT2AMEN1

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