SCHEMBL25350693

SCHEMBL25350693

O=CC1CCOC1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.46
▸ TDP1 Q9NUW8 1/20 0.45
▸ TSHR P16473 1/20 0.43
▸ ALDH1A1 P00352 7/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ PRMT5 O14744 1/20 0.40
▸ WDR77 Q9BQA1 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ SLC9A1 P19634 1/20 0.39
▸ SMN1; SMN2 Q16637 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
SCHEMBL31406451 0.78 LMNA (0.49) LMNATDP1TSHRALDH1A1KDM4E
SCHEMBL25346259 0.77 ALDH1A1 (0.46) LMNATDP1TSHRALDH1A1KDM4E
SCHEMBL4169410 0.74 ALDH1A1 (0.58) LMNATDP1TSHRALDH1A1KDM4E
SCHEMBL28376947 0.73 SLC9A1 (0.48) LMNATDP1TSHRALDH1A1KDM4E
SCHEMBL28380943 0.73 SLC9A1 (0.48) LMNATDP1TSHRALDH1A1KDM4E
SCHEMBL16824940 0.72 LMNA (0.55) LMNATDP1TSHRALDH1A1KDM4E
SCHEMBL177270 0.72 LMNA (0.55) LMNATDP1TSHRALDH1A1KDM4E
SCHEMBL177269 0.72 LMNA (0.55) LMNATDP1TSHRALDH1A1KDM4E
SCHEMBL30317990 0.72 TSHR (0.59) LMNATDP1TSHRALDH1A1KDM4E
SCHEMBL10046438 0.72 TSHR (0.59) LMNATDP1TSHRALDH1A1KDM4E

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
WO-2023151642-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-08-17 — — WO disclosed
WO-2023151641-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-08-17 — — WO disclosed
WO-2023151640-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-08-17 — — WO disclosed
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