SCHEMBL8608337

SCHEMBL8608337

COC1C(C(=O)c2ccccc2S(C)(=O)=O)=C(C2(C)CC2)ON1Cl

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EED O75530 1/20 0.36
LMNA P02545 2/20 0.35
BCAT2 O15382 1/20 0.34
NAMPT P43490 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA5A P35218 1/20 0.30
CA9 Q16790 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 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
SCHEMBL8606145 0.87 LMNA (0.37) EEDLMNABCAT2NAMPT
SCHEMBL8607785 0.80 LMNA (0.37) EEDLMNABCAT2CA1CA2
SCHEMBL8684225 0.78 TSHR (0.33) EEDLMNABCAT2NAMPT
SCHEMBL8609593 0.72 BCAT2 (0.36) EEDLMNABCAT2
SCHEMBL8488843 0.70 BCAT2 (0.39) EEDLMNABCAT2MEN1NPC1
SCHEMBL8607350 0.70 BCAT2 (0.38) EEDLMNABCAT2CA1CA2
SCHEMBL8605528 0.70 LMNA (0.42) EEDLMNABCAT2NAMPTRAB9A
SCHEMBL8491655 0.70 TSHR (0.37) EEDLMNABCAT2CA1CA2
SCHEMBL8491543 0.67 TSHR (0.35) EEDLMNABCAT2
SCHEMBL8493444 0.66 BCAT2 (0.39) EEDLMNABCAT2NAMPTMEN1

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