SCHEMBL4772036

SCHEMBL4772036

O=[N+]([O-])c1ccc(S(=O)(=O)NCCN2CCCCC2)cc1

nearest known ligand 0.90

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.90
LMNA P02545 1/20 0.90
GAA P10253 1/20 0.90
MAPT P10636 1/20 0.90
SMN1; SMN2 Q16637 1/20 0.90
PKM P14618 1/20 0.76
SIGMAR1 Q99720 7/20 0.68
MBTD1 Q05BQ5 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HRH3 Q9Y5N1 1/20 0.55
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
TP53 P04637 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL7000216 0.99 KDM4E (0.92) KDM4ELMNAGAAMAPTSMN1; SMN2
SCHEMBL4765974 0.92 MAPT (0.77) KDM4ELMNAGAAMAPTSMN1; SMN2
SCHEMBL15823836 0.88 GAA (0.74) KDM4ELMNAGAAMAPTSMN1; SMN2
SCHEMBL1873507 0.86 PKM (1.00) KDM4ELMNAGAAMAPTSMN1; SMN2
SCHEMBL4769081 0.81 SIGMAR1 (0.74) KDM4ELMNAGAAMAPTSMN1; SMN2
SCHEMBL3387201 0.81 SIGMAR1 (0.74) KDM4ELMNAGAAMAPTSMN1; SMN2
SCHEMBL2500700 0.81 KDM4E (0.65) KDM4ELMNAGAAMAPTSMN1; SMN2
SCHEMBL4196782 0.81 SIGMAR1 (0.73) KDM4ELMNAGAAMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL27491125 0.80 KDM4E (0.59) KDM4ELMNAGAAMAPTSMN1; SMN2
SCHEMBL13297961 0.80 L3MBTL1 (0.83) KDM4ELMNAGAAMAPTSMN1; 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-1303496-B9 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2008-03-19 EP disclosed
EP-1303496-B1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-12 EP disclosed