SCHEMBL7525034

SCHEMBL7525034

O=C1c2ccccc2C(=O)N1CC=CCCBr

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.49
▸ CA12 O43570 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ GLS O94925 1/20 0.42
▸ DRD3 P35462 1/20 0.41
▸ BCHE P06276 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ ALDH3A1 P30838 1/20 0.40
▸ RCE1 Q9Y256 1/20 0.40

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
SCHEMBL4476083 0.87 CASP3 (0.60) CASP3CA12CA9GLSDRD3
SCHEMBL8950475 0.87 CASP3 (0.60) CASP3CA12CA9GLSDRD3
SCHEMBL4468251 0.87 CASP3 (0.60) CASP3CA12CA9GLSDRD3
SCHEMBL30423183 0.85 CASP3 (0.51) CASP3CA12CA9GLSDRD3
SCHEMBL4581609 0.85 CASP3 (0.51) CASP3CA12CA9GLSDRD3
SCHEMBL29443002 0.85 CASP3 (0.51) CASP3CA12CA9GLSDRD3
SCHEMBL4581604 0.85 CASP3 (0.51) CASP3CA12CA9GLSDRD3
SCHEMBL4579077 0.79 CASP3 (0.53) CASP3CA12CA9GLSALDH1A1
SCHEMBL21901972 0.79 CASP3 (0.53) CASP3CA12CA9GLSALDH1A1
SCHEMBL461209 0.79 CASP3 (0.53) CASP3CA12CA9GLSALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0635023-B1 COVALENTLY CROSS-LINKED OLIGONUCLEOTIDES ISIS PHARMACEUTICALS INC (US) 2002-02-06 — — EP disclosed
US-5719271-A HYBRIDS; GENETIC ENGINEERING ISIS PHARMACEUTICALS, INC. (US) 1998-02-17 — — US disclosed
US-5543507-A BONDING STRANDS OR ONE STRAND AT DIFFERENT SITES; RNA MIMICS FIXED IN SPATIAL CONFORMATION; NUCLEASE RESISTANT MIMICS OF BINDING RECEPTORS FOR NUCLEIC ACID-BINDING PROTEINS; 5-LIPOXYGENASE INHIBITORS; DIAGNOSIS; ANALYZING ISIS PHARMACEUTICALS, INC. (US) 1996-08-06 — — US disclosed
EP-0635023-A4 COVALENTLY CROSS-LINKED OLIGONUCLEOTIDES. ISIS PHARMACEUTICALS INC (US) 1996-03-20 — — EP disclosed
EP-0635023-A1 COVALENTLY CROSS-LINKED OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 1995-01-25 — — EP disclosed
WO-1993018052-A1 COVALENTLY CROSS-LINKED OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 1993-09-16 — — WO disclosed
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