SCHEMBL6673010

SCHEMBL6673010

CS(=O)(=O)N1CCCCC1COc1ccccc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
LMNA P02545 3/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CHRNB1 P11230 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
CHRNB3 Q05901 1/20 0.41
KDM4E B2RXH2 2/20 0.40
SSTR1 P30872 1/20 0.40
SSTR4 P31391 1/20 0.40
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PER2 O15055 1/20 0.39

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
SCHEMBL1929302 0.80 CHRNB4 (0.66) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL1928695 0.76 CHRNB4 (0.72) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL1928412 0.76 CHRNB4 (0.72) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL17596226 0.72 PSEN1 (0.37) KMT2AALDH1A1PER2CRY1CRY2
SCHEMBL11448897 0.70 CHRNB4 (0.52) CHRNB4CHRNA3LMNAKMT2AALDH1A1
SCHEMBL18586429 0.70 LMNA (0.51) CHRNB4CHRNA3LMNAKMT2AHPGD
SCHEMBL18615875 0.70 LMNA (0.51) CHRNB4CHRNA3LMNAKMT2AHPGD
SCHEMBL29642919 0.70 LMNA (0.51) CHRNB4CHRNA3LMNAKMT2AHPGD
SCHEMBL21949703 0.70 LMNA (0.51) CHRNB4CHRNA3LMNAKMT2AHPGD
SCHEMBL8224255 0.70 LMNA (0.51) LMNAKMT2AHPGDHTTSMN1; 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-1421074-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-05-26 EP disclosed
WO-2003010158-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-02-06 WO disclosed