SCHEMBL28913685

SCHEMBL28913685

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
BCL9 O00512 1/20 0.40
CTNNB1 P35222 1/20 0.40
GPR174 Q9BXC1 2/20 0.39
MAPT P10636 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
VCAM1 P19320 1/20 0.35
ESPL1 Q14674 1/20 0.35
HSPB1 P04792 2/20 0.35
THRA P10827 1/20 0.34
THRB P10828 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
SCHEMBL27990087 0.89 RECQL (0.40) GPR174MAPTMEN1KMT2ACYP1A2
SCHEMBL29136556 0.88 BCL9 (0.37) L3MBTL1BCL9CTNNB1GPR174MAPT
SCHEMBL28346269 0.83 SMN1; SMN2 (0.37) MAPTMEN1KMT2ACYP1A2CYP2C9
SCHEMBL31338436 0.81 ITGB1 (0.40) L3MBTL1GPR174MAPTMEN1KMT2A
SCHEMBL27596079 0.77 BCL9 (0.42) L3MBTL1BCL9CTNNB1MAPTMEN1
SCHEMBL27972345 0.77 RECQL (0.42) GPR174MAPTMEN1KMT2ACYP1A2
SCHEMBL27800517 0.75 MAPT (0.48) L3MBTL1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL9863069 0.74 MAPT (0.50) GPR174MAPTMEN1KMT2ACYP1A2
SCHEMBL10983914 0.74 HSPB1 (0.50) L3MBTL1MEN1KMT2AALDH1A1RAB9A
SCHEMBL30662465 0.73 MAPT (0.47) MAPTMEN1KMT2AALDH1A1SMN1; SMN2

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-115466249-A Preparation method of flumioxazin 上海农帆生物科技有限公司 2022-12-13 CN claimed
CN-115466249-A Preparation method of flumioxazin 上海农帆生物科技有限公司 2022-12-13 CN disclosed