SCHEMBL6597751

SCHEMBL6597751

CN(CCCN1CCOCC1)S(=O)(=O)c1ccc(I)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.64
ALDH1A1 P00352 6/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
GAA P10253 2/20 0.45
MMP3 P08254 1/20 0.45
HPGD P15428 1/20 0.45
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BMP1 P13497 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
CA1 P00915 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44

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
SCHEMBL8595796 0.87 ALDH1A1 (0.67) SIGMAR1ALDH1A1MEN1KMT2ACA12
SCHEMBL2376923 0.79 SIGMAR1 (0.76) SIGMAR1ALDH1A1MEN1KMT2ACA12
SCHEMBL28092846 0.79 MEN1 (0.58) SIGMAR1ALDH1A1MEN1KMT2ACA12
SCHEMBL8595603 0.75 SIGMAR1 (0.82) SIGMAR1ALDH1A1MMP3HRH3
SCHEMBL19563417 0.74 SIGMAR1 (0.56) SIGMAR1ALDH1A1MEN1KMT2AGAA
SCHEMBL6107281 0.74 KMT2A (0.76) SIGMAR1ALDH1A1KMT2AKDM4E
SCHEMBL4763901 0.74 SIGMAR1 (0.64) SIGMAR1MEN1KMT2ACA12CA9
SCHEMBL8592975 0.73 NPSR1 (0.56) ALDH1A1GAAHTR2AHTR2C
SCHEMBL14045852 0.73 GAA (0.46) SIGMAR1ALDH1A1MEN1KMT2AGAA
SCHEMBL14045823 0.72 GAA (0.43) ALDH1A1MEN1KMT2AGAAHPGD

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-1351958-B1 IMIDAZOLO-5-YL-2-ANILINO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF THE CELL PROLIFERATION ASTRAZENECA AB (SE) 2004-06-16 EP disclosed