SCHEMBL27797641

SCHEMBL27797641

C=CC(N1CCOCC1)S(=O)(=O)c1ccc(C(C)C=O)cc1Br

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
P2RX7 Q99572 1/20 0.32
MAPT P10636 2/20 0.31
KDM4E B2RXH2 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
SCHEMBL27776670 0.88 LMNA (0.37) LMNAALDH1A1SMN1; SMN2P2RX7MAPT
SCHEMBL27776657 0.84 CNR2 (0.35) LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL27776669 0.80 F10 (0.33) LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL27776830 0.72 CNR2 (0.36) LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL27835248 0.69 LMNA (0.37) LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL27745075 0.69 CA1 (0.43) LMNAALDH1A1SMN1; SMN2P2RX7MAPT
SCHEMBL27797639 0.68 ERN1 (0.52) ALDH1A1MAPTKDM4E
SCHEMBL27735019 0.67 PKM (0.45) LMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL27693489 0.65 POLB (0.36) LMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL840281 0.65 ALDH1A1 (0.49) LMNAALDH1A1SMN1; SMN2KDM4E

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
CN-101687797-A Malonamide derivatives with antithrombotic activity SANOFI AVENTIS 2010-03-31 CN disclosed