SCHEMBL29034739

SCHEMBL29034739

COc1ccc(COc2ccc(Cc3ccccc3)c([N+](=O)[O-])c2)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LTA4H P09960 1/20 0.42
MAOB P27338 2/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 1/20 0.42
FFAR1 O14842 3/20 0.42
PTGES O14684 1/20 0.42
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
PPARD Q03181 1/20 0.40
TDO2 P48775 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL29274258 0.87 RAB9A (0.50) RAB9AMEN1KMT2ALTA4HMAPT
SCHEMBL29034464 0.78 MAPT (0.53) RAB9AMEN1KMT2AMAOBMAPT
SCHEMBL28555837 0.77 RAB9A (0.50) RAB9AMEN1KMT2AMAPTALDH1A1
SCHEMBL519418 0.74 PTGES (0.61) RAB9AMEN1KMT2AMAOBMAPT
SCHEMBL29503061 0.74 PTGES (0.61) RAB9AMEN1KMT2AMAOBMAPT
SCHEMBL2022545 0.74 PTGES (0.61) RAB9AMEN1KMT2AMAOBMAPT
SCHEMBL29463874 0.74 PTGES (0.61) RAB9AMEN1KMT2AMAOBMAPT
SCHEMBL27189538 0.73 MEN1 (0.50) RAB9AMEN1KMT2AMAOBMAPT
SCHEMBL3997761 0.72 MEN1 (0.67) RAB9AMEN1KMT2AMAOBMAPT
SCHEMBL22588394 0.72 PTGES (0.55) RAB9AMEN1KMT2AMAOBMAPT

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-116425642-B Preparation method of 2-methoxy-4-fluoro-5-aminophenol 浙江科聚生物医药有限公司 2025-06-10 CN disclosed
CN-116425642-A Preparation method of 2-methoxy-4-fluoro-5-aminophenol 浙江科聚生物医药有限公司 2023-07-14 CN disclosed