SCHEMBL7300871

SCHEMBL7300871

CC(C)(C)c1ccc(S(=O)(=O)N[C@H](C(=O)O)N(CC2CCCN(C(=N)N)C2)C(=O)CCc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.47
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 1/20 0.38
F10 P00742 1/20 0.37
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 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
SCHEMBL7302675 0.78 F2 (0.75) F2
Acetic Acid SCHEMBL8919662 0.77 F2 (0.72) F2
Acetic Acid SCHEMBL8579129 0.74 F2 (0.52) F2MAPTF10ALDH1A1
SCHEMBL8919686 0.74 F2 (0.54) F2MAPTF10ALDH1A1
SCHEMBL7290829 0.68 F2 (0.78) F2
SCHEMBL7290808 0.68 F2 (0.78) F2
SCHEMBL7291503 0.68 F2 (0.51) F2
SCHEMBL8926218 0.67 F2 (0.42) F2F10
SCHEMBL8927498 0.66 F2 (0.42) F2F10
SCHEMBL7302895 0.66 F2 (0.58) F2

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
EP-0468231-B1 Guanidins HOFFMANN LA ROCHE (CH) 1994-09-21 EP disclosed