SCHEMBL8091604

SCHEMBL8091604

O=C(C1CCCC1)N(C1CCNCC1)S(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ESR1 P03372 1/20 0.42
NR1H3 Q13133 1/20 0.40
SLC6A4 P31645 4/20 0.40
SLC6A2 P23975 3/20 0.40
CAMK2A Q9UQM7 2/20 0.38
HTR6 P50406 2/20 0.38
CAMK2G Q13555 1/20 0.38
MCL1 Q07820 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
ENPP3 O14638 1/20 0.36
ENPP1 P22413 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL14631107 0.82 KMT2A (0.41) MEN1ALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL1338876 0.75 CCR8 (0.60)
SCHEMBL4425234 0.74 SLC6A2 (0.37) MEN1ALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL532533 0.73 KDM4E (0.46) MEN1ALDH1A1KMT2AKDM4EESR1
SCHEMBL28477897 0.73 KMT2A (0.62) MEN1ALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL27768338 0.73 KMT2A (0.58) MEN1ALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL3485687 0.72 ALDH1A1 (0.71) MEN1ALDH1A1KMT2AKDM4ESLC6A4
Hydrochloric Acid SCHEMBL27714396 0.71 ALDH1A1 (0.69) MEN1ALDH1A1KMT2AKDM4ESLC6A4
Hydrochloric Acid SCHEMBL9785714 0.71 ESR1 (0.58) MEN1ALDH1A1KMT2AKDM4EESR1
SCHEMBL3839948 0.69 KMT2A (0.41) MEN1ALDH1A1KMT2AKDM4ESMN1; SMN2

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