SCHEMBL7994030

SCHEMBL7994030

CONS(=O)(=O)c1ccccc1-c1ccc(C(=O)C2=CC=CB2)c([N+](=O)[O-])c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.36
ABCB1 P08183 1/20 0.35
GUSB P08236 1/20 0.34
SLC10A6 Q3KNW5 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
THRB P10828 3/20 0.33
PKM P14618 1/20 0.33
AMY1A P0DUB6 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ADAMTS4 O75173 1/20 0.33
VCAM1 P19320 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL7994014 0.88 ALOX5AP (0.39) F10
SCHEMBL7995479 0.85 F10 (0.44) F10POLBKMT2A
SCHEMBL7994026 0.79 ABCB1 (0.39) F10ABCB1GUSBSLC10A6L3MBTL1
SCHEMBL7994283 0.76 F2 (0.38) TDP1
SCHEMBL7995486 0.75 ALOX5AP (0.38) F10
SCHEMBL7995536 0.73 ALOX5AP (0.48)
SCHEMBL7994138 0.72 ALOX5AP (0.51)
SCHEMBL7984034 0.68 ALOX5AP (0.47) F10
SCHEMBL8001455 0.67 ALOX5AP (0.45)
SCHEMBL7994011 0.67 ALOX5AP (0.42)

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