SCHEMBL30467987

SCHEMBL30467987

CC1(COc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
MAPT P10636 5/20 0.49
CA2 P00918 3/20 0.43
CA1 P00915 2/20 0.43
CA9 Q16790 2/20 0.43
CA12 O43570 1/20 0.43
ALDH1A1 P00352 4/20 0.42
POLB P06746 2/20 0.42
VCAM1 P19320 1/20 0.42
ATM Q13315 1/20 0.41
MAPK1 P28482 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 2/20 0.40
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.38
AOC2 O75106 1/20 0.38
CA7 P43166 1/20 0.38

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
SCHEMBL1700214 1.00 LMNA (0.51) LMNAMAPTCA2CA1CA9
SCHEMBL1958870 0.88 LMNA (0.47) LMNAMAPTCA2CA1CA9
SCHEMBL1700221 0.87 LMNA (0.49) LMNAMAPTCA2CA1CA9
SCHEMBL523821 0.86 LMNA (0.48) LMNAMAPTCA2CA1CA9
SCHEMBL29482089 0.86 LMNA (0.48) LMNAMAPTCA2CA1CA9
SCHEMBL1700056 0.78 LMNA (0.51) LMNAMAPTCA2CA1CA9
SCHEMBL16037480 0.77 MAPT (0.56) LMNAMAPTPOLBMAPK1KMT2A
SCHEMBL1700226 0.77 LMNA (0.48) LMNAMAPTCA2CA1CA9
SCHEMBL30467963 0.77 LMNA (0.48) LMNAMAPTCA2CA1CA9
SCHEMBL6112716 0.76 LMNA (0.60) LMNAMAPTCA2CA1CA9

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-4218731-A2 MELT-EXTRUDED SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT AbbVie Ireland Unlimited Company (IE) 2023-08-02 EP disclosed