SCHEMBL3632389

SCHEMBL3632389

CCOC(=O)Nc1cccc(Cn2c(=O)oc3cc(OC(=O)OC)ccc32)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MIF P14174 6/20 0.47
CD74 P04233 3/20 0.46
BRAF P15056 1/20 0.46
POLB P06746 1/20 0.45
PKM P14618 1/20 0.44
TNIK Q9UKE5 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CBX7 O95931 1/20 0.43
RECQL P46063 1/20 0.43
CDYL2 Q8N8U2 1/20 0.43
CDYL Q9Y232 1/20 0.43
CDY1; CDY1B Q9Y6F8 1/20 0.43
MET P08581 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL3633664 0.92 MIF (0.48) MIFCD74BRAFPOLBPKM
SCHEMBL3633656 0.87 MIF (0.63) MIFCD74POLBPKMTNIK
SCHEMBL2542424 0.85 MIF (0.48) MIFCD74POLBPKMTNIK
SCHEMBL2540880 0.84 MIF (0.49) MIFCD74POLBPKMSMN1; SMN2
SCHEMBL14563237 0.82 MIF (0.60) MIFCD74POLBTNIKSMN1; SMN2
SCHEMBL3629237 0.82 TNIK (0.52) MIFCD74BRAFPOLBTNIK
SCHEMBL3629990 0.79 IDO1 (0.52) MIFCD74POLBTNIK
SCHEMBL12266432 0.78 MAPT (0.45) MIFBRAFPOLBPKMMET
SCHEMBL12240999 0.77 SIGMAR1 (0.44) MIFPKMSMN1; SMN2ALDH1A1LMNA
SCHEMBL12266109 0.77 PIK3CB (0.51) MIFCD74POLBPKMSMN1; SMN2

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-2150530-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-02-10 EP claimed
WO-2008131947-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO claimed