SCHEMBL8606545

SCHEMBL8606545

CS(=O)(=O)c1ccccc1C(=O)N1CC(Br)=C(C2CC2)O1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
EED O75530 1/20 0.38
BCAT2 O15382 1/20 0.36
CACNA1B Q00975 3/20 0.36
SLC9A1 P19634 1/20 0.36
MMP2 P08253 1/20 0.35
MMP13 P45452 1/20 0.35
NAAA Q02083 1/20 0.33
MGLL Q99685 3/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL3 Q96JM7 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NAMPT P43490 1/20 0.31
NR1I2 O75469 1/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30

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
SCHEMBL8606607 0.86 LMNA (0.43) LMNAEEDBCAT2CACNA1BSLC9A1
SCHEMBL8608708 0.74 LMNA (0.38) LMNAEEDBCAT2CACNA1BSLC9A1
SCHEMBL8608675 0.71 LMNA (0.38) LMNAEEDBCAT2CACNA1BSLC9A1
SCHEMBL8606547 0.70 LMNA (0.39) LMNAEEDBCAT2CACNA1BMMP2
SCHEMBL8494381 0.69 LMNA (0.37) LMNAEEDBCAT2CACNA1BSLC9A1
SCHEMBL8605528 0.68 LMNA (0.42) LMNAEEDBCAT2CACNA1BNAAA
SCHEMBL8491954 0.68 LMNA (0.36) LMNAEEDBCAT2CACNA1BKDM4E
SCHEMBL8607785 0.68 LMNA (0.37) LMNAEEDBCAT2CACNA1BSLC9A1
SCHEMBL8606612 0.67 LMNA (0.38) LMNAEEDBCAT2JAK2JAK1
SCHEMBL8489221 0.66 SLC9A1 (0.40) LMNAEEDCACNA1BSLC9A1MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5804532-A REACTING A BENZOYL ISOXAZOLE WITH A BASE RHONE-POULENC AGRICULTURE LIMITED (GB) 1998-09-08 US disclosed