SCHEMBL6231171

SCHEMBL6231171

N=C(OF)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 1/20 0.61
▸ PRSS2 P07478 1/20 0.61
▸ PRSS3 P35030 1/20 0.61
▸ CES2 O00748 1/20 0.59
▸ CES1 P23141 1/20 0.59
▸ TP53 P04637 1/20 0.57
▸ TSHR P16473 5/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ ALOX15 P16050 1/20 0.53
▸ LMNA P02545 2/20 0.52
▸ KMT2A Q03164 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ ALOX5 P09917 1/20 0.49
▸ POLB P06746 2/20 0.49
▸ MAPT P10636 1/20 0.49
▸ CTDSP1 Q9GZU7 1/20 0.49
▸ ACHE P22303 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL3414390 0.83 PRSS1 (0.61) PRSS1PRSS2PRSS3CES2CES1
SCHEMBL19285363 0.81 CES2 (0.66) PRSS1PRSS2PRSS3CES2CES1
SCHEMBL258588 0.81 PRSS1 (0.58) PRSS1PRSS2PRSS3CES2CES1
Hydrochloric Acid SCHEMBL258587 0.80 PRSS1 (0.60) PRSS1PRSS2PRSS3CES2CES1
SCHEMBL2892439 0.77 ALDH1A1 (0.71) PRSS1PRSS2PRSS3CES2CES1
SCHEMBL2762350 0.77 PRSS1 (0.96) PRSS1PRSS2PRSS3CES2CES1
SCHEMBL27981719 0.77 CES2 (0.69) PRSS1PRSS2PRSS3CES2CES1
SCHEMBL18029679 0.77 PRSS1 (0.61) PRSS1PRSS2PRSS3CES2CES1
SCHEMBL4092998 0.76 CES2 (0.74) PRSS1PRSS2PRSS3CES2CES1
Hydrochloric Acid SCHEMBL1262882 0.76 PRSS1 (1.00) PRSS1PRSS2PRSS3CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1517919-A2 MARKED PEPTIDES HAVING AFFINITY FOR A PHOSPHOLIPID AND USES COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2005-03-30 — — EP disclosed
EP-1517903-A2 MARKED MALEIMIDE COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF FOR MARKING MACROMOLECULES COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2005-03-30 — — EP disclosed
WO-2004002984-A2 MARKED MALEIMIDE COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF FOR MARKING MACROMOLECULES COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2004-01-08 — — WO disclosed
WO-2004003016-A2 MARKED PEPTIDES HAVING AFFINITY FOR A PHOSPHOLIPID AND USES COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2004-01-08 — — WO disclosed
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