SCHEMBL30957347

SCHEMBL30957347

COc1c(C(C)=O)ccc([N+](=O)[O-])c1F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 2/20 0.40
▸ TPMT P51580 1/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ AKR1C3 P42330 1/20 0.36
▸ AKR1C2 P52895 1/20 0.36
▸ ABCC1 P33527 1/20 0.36

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
SCHEMBL25194528 0.85 TPMT (0.43) ABCB1TPMTKMT2AMEN1SMN1; SMN2
SCHEMBL20741601 0.83 TSHR (0.49) ABCB1TPMTKMT2AMEN1SMN1; SMN2
SCHEMBL31094763 0.82 MAPT (0.42) SMN1; SMN2MAPTALDH1A1TDP1TSHR
SCHEMBL2028545 0.81 TSHR (0.47) ABCB1TPMTKMT2AMEN1MAPT
SCHEMBL30957331 0.79 GPR35 (0.41) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL11901576 0.78 TDP1 (0.44) TPMTKMT2AMEN1ALDH1A1TDP1
SCHEMBL31487706 0.78 TDP1 (0.44) TPMTKMT2AMEN1ALDH1A1TDP1
SCHEMBL7111424 0.78 TSHR (0.54) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL31094807 0.78 TDP1 (0.42) KMT2AMAPTTDP1TSHR
SCHEMBL29686473 0.78 TSHR (0.54) KMT2AMEN1SMN1; SMN2MAPTALDH1A1

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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