SCHEMBL4770184

SCHEMBL4770184

Nc1ccc(S(=O)(=O)NCCCN2CCCCC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.72
MBTD1 Q05BQ5 1/20 0.72
SIGMAR1 Q99720 6/20 0.62
KMT2A Q03164 2/20 0.56
HTR7 P34969 2/20 0.54
SFRP1 Q8N474 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CCR1 P32246 1/20 0.51
MEN1 O00255 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
SCHEMBL1636286 0.99 L3MBTL1 (0.74) L3MBTL1MBTD1SIGMAR1KMT2AHTR7
SCHEMBL4769081 0.91 SIGMAR1 (0.74) L3MBTL1MBTD1SIGMAR1KMT2ACYP3A4
SCHEMBL5438202 0.90 SIGMAR1 (0.73) L3MBTL1MBTD1SIGMAR1KMT2ACYP3A4
SCHEMBL3327029 0.89 L3MBTL1 (0.72) L3MBTL1MBTD1SIGMAR1KMT2AHTR7
Hydrochloric Acid SCHEMBL10853327 0.88 SIGMAR1 (0.71) L3MBTL1MBTD1SIGMAR1KMT2ACYP3A4
SCHEMBL3322160 0.87 L3MBTL1 (0.74) L3MBTL1MBTD1SIGMAR1KMT2AHTR7
SCHEMBL9885409 0.86 KMT2A (0.76) L3MBTL1MBTD1KMT2ACYP3A4CYP2D6
SCHEMBL14039394 0.86 L3MBTL1 (0.97) L3MBTL1MBTD1SIGMAR1KMT2AHTR7
SCHEMBL14132491 0.85 L3MBTL1 (0.71) L3MBTL1MBTD1SIGMAR1KMT2AHTR7
SCHEMBL23682795 0.84 L3MBTL1 (1.00) L3MBTL1MBTD1SIGMAR1KMT2AHTR7

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