SCHEMBL30957331

SCHEMBL30957331

CC(=O)c1ccc([N+](=O)[O-])c(F)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 4/20 0.41
▸ MAPT P10636 2/20 0.40
▸ TSHR P16473 3/20 0.40
▸ TP53 P04637 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ HIF1A Q16665 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TTR P02766 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ GMNN O75496 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ RECQL P46063 1/20 0.39

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
SCHEMBL31094763 0.86 MAPT (0.42) MAPTTSHRTP53CYP3A4HPGD
SCHEMBL31094807 0.81 TDP1 (0.42) GPR35MAPTTSHRMAPK1TDP1
SCHEMBL480995 0.81 TSHR (0.49) GPR35MAPTTSHRCYP3A4SMN1; SMN2
SCHEMBL30957347 0.79 ABCB1 (0.40) MAPTTSHRSMN1; SMN2TDP1MEN1
SCHEMBL7859174 0.77 TSHR (0.53) GPR35MAPTTSHRCYP3A4SMN1; SMN2
SCHEMBL30957392 0.76 MAPT (0.50) MAPTHPGDSMN1; SMN2TDP1KDM4E
SCHEMBL29609378 0.76 MAPK1 (0.38) GPR35MAPTTSHRTP53CYP3A4
SCHEMBL19743737 0.76 MAPK1 (0.38) GPR35MAPTTSHRTP53CYP3A4
SCHEMBL30792111 0.76 GPR35 (0.47) GPR35MAPTTSHRTP53CYP3A4
SCHEMBL28579212 0.76 SMN1; SMN2 (0.47) GPR35MAPTTSHRTP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4598933-A1 PHOSPHORAMIDATE COMPOUNDS AND USES THEREOF Allorion Therapeutics Inc (US) 2025-08-13 — — EP disclosed
CN-119968377-A Phosphoramidate compounds and uses thereof 安锐生物医药公司 2025-05-09 — — CN disclosed
WO-2024078392-A1 PHOSPHORAMIDATE COMPOUNDS AND USES THEREOF ANRUI BIOMEDICAL TECHNOLOGY (GUANGZHOU) CO., LTD. (CN) 2024-04-18 — — WO disclosed
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