SCHEMBL7995485

SCHEMBL7995485

COC(=O)NS(=O)(=O)c1ccccc1-c1ccc(C(=O)B2C=CC=C2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 16/20 0.41
ALOX5AP P20292 13/20 0.41

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
SCHEMBL7994282 0.88 F2 (0.41) FEN1ALOX5AP
SCHEMBL7994136 0.85 ALOX5AP (0.54) FEN1ALOX5AP
SCHEMBL7995486 0.78 ALOX5AP (0.38) FEN1ALOX5AP
SCHEMBL10916572 0.75 CASP1 (0.51)
SCHEMBL7995533 0.73 ALOX5AP (0.49) FEN1ALOX5AP
SCHEMBL8001505 0.73 AKR1C2 (0.45)
SCHEMBL7995594 0.70 F10 (0.42) FEN1ALOX5AP
SCHEMBL30009271 0.70 KAT6A (0.50)
SCHEMBL7994011 0.69 ALOX5AP (0.42) FEN1ALOX5AP
SCHEMBL7994283 0.69 F2 (0.38) FEN1ALOX5AP

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-0810858-A4 BORONIC ACID AND ESTER INHIBITORS OF THROMBIN DU PONT PHARM CO (US) 2000-11-15 EP disclosed
EP-0810858-A2 BORONIC ACID AND ESTER INHIBITORS OF THROMBIN THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-12-10 EP disclosed
WO-1996020689-A2 BORONIC ACID AND ESTER INHIBITORS OF THROMBIN THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-11 WO disclosed