SCHEMBL29136556

SCHEMBL29136556

CCCC(=O)OOc1cc(F)c(Br)cc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.37
CTNNB1 P35222 1/20 0.37
GPR174 Q9BXC1 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
HSPB1 P04792 2/20 0.35
MAPT P10636 6/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
PKM P14618 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPK1 P28482 2/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL28913685 0.88 L3MBTL1 (0.40) BCL9CTNNB1GPR174L3MBTL1HSPB1
SCHEMBL27596079 0.80 BCL9 (0.42) BCL9CTNNB1L3MBTL1MAPTALDH1A1
SCHEMBL29029077 0.79 MAPT (0.36) HSPB1MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL27990087 0.78 RECQL (0.40) GPR174HSPB1MAPTALDH1A1SMN1; SMN2
SCHEMBL17543791 0.76 MAPT (0.45) HSPB1MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL31434942 0.76 MAPT (0.45) HSPB1MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL29136555 0.75 MAPT (0.44) GPR174MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL12491675 0.73 ALDH1A1 (0.44) L3MBTL1HSPB1MAPTALDH1A1MEN1
SCHEMBL29785367 0.73 ALDH1A1 (0.44) L3MBTL1HSPB1MAPTALDH1A1MEN1
SCHEMBL29120833 0.73 THRA (0.46) MAPTALDH1A1SMN1; SMN2MEN1KMT2A

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
CN-117362284-A Preparation method of flumioxazin 厦门大学 2024-01-09 CN claimed
CN-117362284-A Preparation method of flumioxazin 厦门大学 2024-01-09 CN disclosed