SCHEMBL4789666

SCHEMBL4789666

NS(=O)(=O)c1scc(-c2ccccc2)c1CO

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.43
CA2 P00918 7/20 0.40
CA1 P00915 6/20 0.40
CA9 Q16790 6/20 0.40
CA12 O43570 5/20 0.40
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
PRKCZ Q05513 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 3/20 0.37
THRB P10828 1/20 0.37
BCAT2 O15382 1/20 0.37
PTGS2 P35354 2/20 0.36

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
SCHEMBL4760304 0.79 CA1 (0.42) CA2CA1CA9CA12KMT2A
SCHEMBL4789670 0.75 PTGS2 (0.41) CA2CA1CA9CA12KMT2A
SCHEMBL31526404 0.75 PDCD1 (0.43) BACE1KMT2ALMNAMEN1ALDH1A1
SCHEMBL4759228 0.75 KMT2A (0.40) BACE1CA2CA1CA9CA12
SCHEMBL27434088 0.70 CA2 (0.37) CA2CA1CA9CA12
SCHEMBL4760191 0.70 LMNA (0.45) KMT2ALMNAMEN1ALDH1A1HPGD
SCHEMBL3100642 0.69 BCAT2 (0.50) CA2CA1CA9CA12KMT2A
SCHEMBL4760307 0.69 CA1 (0.41) CA2CA1CA9CA12KMT2A
SCHEMBL6906325 0.67 LMNA (0.44) CA2KMT2ALMNAMEN1ALDH1A1
SCHEMBL5663303 0.65 BACE1 (0.48) BACE1KMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879877-A2 ANTIMICROBIAL AGENTS Ranbaxy Laboratories Limited (IN) 2008-01-23 EP claimed
WO-2006117762-A2 ANTIMICROBIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO claimed