SCHEMBL1740506

SCHEMBL1740506

COc1ccc2ncc(SCCN3CCC(N(C)S(=O)(=O)c4ccccc4[N+](=O)[O-])CC3I)nc2c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.34
MAPT P10636 4/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 3/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 3/20 0.33
HTR2A P28223 3/20 0.33
HTR2C P28335 3/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 2/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
POLB P06746 1/20 0.32
MET P08581 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31

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
SCHEMBL620429 0.89 HTR2A (0.37) LMNAMAPTNPSR1ALDH1A1PKM
SCHEMBL1741916 0.86 KMT2A (0.38) MAPTNPSR1ALDH1A1PKMKMT2A
SCHEMBL621315 0.77 KMT2A (0.43) PKMKMT2AHTR2AMEN1
SCHEMBL620404 0.64 FGFR3 (0.47)
SCHEMBL621993 0.63 FGFR1 (0.39)
SCHEMBL621994 0.63 FGFR1 (0.41) ALDH1A1GAA
SCHEMBL3707718 0.63 KMT2A (0.47) MAPTNPSR1ALDH1A1KMT2AL3MBTL1
SCHEMBL2825482 0.63 KMT2A (0.56) LMNAALDH1A1PKMKMT2AHTR2A
SCHEMBL15662656 0.63 KCNH2 (0.38) MAPTNPSR1ALDH1A1KMT2AMEN1
SCHEMBL3805548 0.62 KCNH2 (0.42) MAPTALDH1A1KMT2AMEN1

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-2389376-A1 NOVEL BICYCLIC ANTIBIOTICS Basilea Pharmaceutica AG (CH) 2011-11-30 EP disclosed
WO-2010084152-A1 NOVEL BICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2010-07-29 WO disclosed