SCHEMBL4710261

SCHEMBL4710261

CS(=O)(=O)N1CCc2cc(S(N)(=O)=O)ccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.66
GLA P06280 1/20 0.66
PKM P14618 1/20 0.60
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA7 P43166 2/20 0.53
CA9 Q16790 1/20 0.53
HTT P42858 4/20 0.53
MAPT P10636 2/20 0.53
LMNA P02545 2/20 0.53
TP53 P04637 1/20 0.53
HPGD P15428 1/20 0.52
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
ROCK1 Q13464 1/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
USP2 O75604 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL852214 0.81 POLB (0.57) POLBGLAPKMHTTHPGD
SCHEMBL30264508 0.81 POLB (0.57) POLBGLAPKMHTTHPGD
SCHEMBL28457831 0.81 CA1 (0.56) POLBGLAPKMCA12CA1
SCHEMBL10167028 0.81 PKM (0.67) POLBGLAPKMHTTMAPT
SCHEMBL5024162 0.79 POLB (0.58) POLBGLAPKMHTTHPGD
SCHEMBL9464873 0.78 POLB (0.57) POLBGLAPKMHTTHPGD
SCHEMBL288153 0.78 NPC1 (0.62) POLBGLAPKMHTTHPGD
SCHEMBL2693394 0.77 PKM (0.62) POLBGLAPKMHTTMAPT
SCHEMBL14058837 0.77 CA1 (0.52) POLBGLACA12CA1CA2
SCHEMBL2693176 0.76 THRB (0.62) POLBGLAPKMHTTMAPT

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