SCHEMBL8091601

SCHEMBL8091601

O=C(NC1CCN(S(=O)(=O)c2ccccc2)CC1)C1CCCC1

nearest known ligand 0.90

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.88
KMT2A Q03164 4/20 0.75
MEN1 O00255 3/20 0.67
ALDH1A1 P00352 2/20 0.67
LMNA P02545 1/20 0.67
GAA P10253 1/20 0.64

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
SCHEMBL612912 0.87 KMT2A (0.78) EPHX2KMT2AMEN1ALDH1A1LMNA
SCHEMBL611344 0.87 KMT2A (0.78) EPHX2KMT2AMEN1ALDH1A1LMNA
SCHEMBL612761 0.86 EPHX2 (0.77) EPHX2KMT2AMEN1ALDH1A1LMNA
SCHEMBL609708 0.86 EPHX2 (0.77) EPHX2KMT2AMEN1ALDH1A1LMNA
SCHEMBL4005679 0.85 EPHX2 (0.76) EPHX2KMT2AMEN1ALDH1A1LMNA
SCHEMBL5991717 0.82 TDP1 (0.68) EPHX2KMT2AMEN1ALDH1A1LMNA
SCHEMBL5991712 0.82 TDP1 (0.68) EPHX2KMT2AMEN1ALDH1A1LMNA
SCHEMBL610202 0.81 TDP1 (0.67) EPHX2KMT2AMEN1ALDH1A1LMNA
SCHEMBL612184 0.81 TDP1 (0.67) EPHX2KMT2AMEN1ALDH1A1LMNA
SCHEMBL610201 0.81 TDP1 (0.67) EPHX2KMT2AMEN1ALDH1A1LMNA

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-0792883-B1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-12-20 EP disclosed
EP-0792883-A1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1997-09-03 EP disclosed