SCHEMBL8607350

SCHEMBL8607350

COC1C(C(=O)c2ccccc2S(C)(=O)=O)=C(C)ON1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.38
EED O75530 1/20 0.37
LMNA P02545 2/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA5A P35218 1/20 0.34
CA9 Q16790 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 1/20 0.32
CACNA1B Q00975 2/20 0.31
PABPC1 P11940 1/20 0.31
EIF4H Q15056 1/20 0.31
F2 P00734 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30
BAZ2B Q9UIF8 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
SCHEMBL8489172 0.86 TSHR (0.37) BCAT2EEDLMNACA1CA2
SCHEMBL8488843 0.76 BCAT2 (0.39) BCAT2EEDLMNAMEN1NPC1
SCHEMBL8491655 0.75 TSHR (0.37) BCAT2EEDLMNACA1CA2
SCHEMBL8491954 0.72 LMNA (0.36) BCAT2EEDLMNAMAPK1CACNA1B
SCHEMBL8607785 0.71 LMNA (0.37) BCAT2EEDLMNACA1CA2
SCHEMBL4321077 0.71 BCAT2 (0.59) BCAT2EEDLMNACA1CA2
SCHEMBL8684225 0.70 TSHR (0.33) BCAT2EEDLMNA
SCHEMBL8608337 0.70 EED (0.36) BCAT2EEDLMNACA1CA2
SCHEMBL26124963 0.67 BCAT2 (0.51) BCAT2EEDLMNACA1CA2
SCHEMBL8608708 0.66 LMNA (0.38) BCAT2EEDLMNACACNA1B

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