SCHEMBL11224683

SCHEMBL11224683

CC(=O)OC(=Cc1ccccc1)[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 4/20 0.59
▸ PRMT1 Q99873 1/20 0.49
▸ AKR1C3 P42330 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ RECQL P46063 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CYP1B1 Q16678 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ GLO1 Q04760 1/20 0.39
▸ JAK2 O60674 1/20 0.38
▸ MITF O75030 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38

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
SCHEMBL2343853 0.88 FBP1 (0.58) FBP1PRMT1AKR1C3ALDH1A1TSHR
SCHEMBL15234446 0.83 FBP1 (0.54) FBP1PRMT1AKR1C3MEN1KMT2A
SCHEMBL11236417 0.81 FBP1 (0.52) FBP1ALDH1A1TDP1MEN1KMT2A
SCHEMBL8507853 0.81 FBP1 (0.59) FBP1PRMT1AKR1C3ALDH1A1TSHR
SCHEMBL1749791 0.74 FBP1 (1.00) FBP1PRMT1AKR1C3ALDH1A1TSHR
SCHEMBL7200178 0.74 AKR1C3 (0.55) FBP1AKR1C3ALDH1A1TSHRGLA
SCHEMBL2918522 0.74 AKR1C3 (0.55) FBP1AKR1C3ALDH1A1TSHRGLA
SCHEMBL30937972 0.74 AKR1C3 (0.55) FBP1AKR1C3ALDH1A1TSHRGLA
SCHEMBL1032131 0.74 FBP1 (1.00) FBP1PRMT1AKR1C3ALDH1A1TSHR
SCHEMBL3248323 0.74 AKR1C3 (0.55) FBP1AKR1C3ALDH1A1TSHRGLA

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
US-4318986-A Enzyme assays NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1982-03-09 — — US disclosed
EP-0007372-A1 Methods and reagents for the assay of enzymes NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1980-02-06 — — EP disclosed
WO-1979000255-A1 ENZYME ASSAYS NAT RES DEV (GB) 1979-05-17 — — WO disclosed
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