SCHEMBL8092142

SCHEMBL8092142

N=C(N)NCCC[CH]NC(=O)C1(C(=O)NC2CCN(S(=O)(=O)c3ccccc3)CC2)CCCC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
TGM2 P21980 5/20 0.44
EPHX2 P34913 1/20 0.42
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL7443535 0.80 KMT2A (0.42) ALDH1A1MEN1KMT2ATGM2EPHX2
SCHEMBL8090175 0.80 MME (0.38)
SCHEMBL8091477 0.78 TBXA2R (0.40) ALDH1A1EPHX2
SCHEMBL7439896 0.77 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AEPHX2POLB
SCHEMBL8089916 0.76 MMP8 (0.44) EPHX2
SCHEMBL8083449 0.75 EPHX2 (0.41) EPHX2
SCHEMBL8083486 0.74 EPHX2 (0.41) EPHX2
SCHEMBL7443545 0.74 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AEPHX2POLB
SCHEMBL8083551 0.73 EPHX2 (0.41) EPHX2
SCHEMBL8096021 0.73 CYP1A2 (0.37) ALDH1A1POLBGAA

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