SCHEMBL3916009

SCHEMBL3916009

Cc1cc(CN2CCCC2)ccc1S(N)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.46
PDIA6 Q15084 1/20 0.44
ALDH1A1 P00352 3/20 0.44
PRMT6 Q96LA8 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 1/20 0.44
HRH4 Q9H3N8 1/20 0.42
NCF1 P14598 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL3920763 0.87 CA2 (0.54) HRH3SMN1; SMN2HTTNCF1CA2
SCHEMBL4786787 0.81 MEN1 (0.53) ALDH1A1KDM4ECA2
SCHEMBL21962847 0.80 ALDH1A1 (0.57) HRH3ALDH1A1PRMT6POLBSMN1; SMN2
SCHEMBL3919427 0.79 KMT2A (0.50) HRH3PDIA6ALDH1A1KDM4E
SCHEMBL15132866 0.77 HRH3 (0.59) HRH3ALDH1A1PRMT6POLBSMN1; SMN2
SCHEMBL3869701 0.76 HRH3 (0.53) HRH3ALDH1A1PRMT6POLBSMN1; SMN2
SCHEMBL16945880 0.76 ALDH1A1 (0.55) HRH3ALDH1A1PRMT6POLBSMN1; SMN2
SCHEMBL3381044 0.76 ESR1 (0.55) HRH3ALDH1A1POLBSMN1; SMN2HTT
SCHEMBL23430815 0.75 HRH3 (0.63) HRH3ALDH1A1POLBSMN1; SMN2HTT
SCHEMBL1807162 0.75 PDIA6 (0.53) PDIA6ALDH1A1KDM4ECA2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797074-A4 COMPOUNDS, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF IIII ASTRAZENECA AB (SE) 2009-04-01 EP claimed
EP-1797074-A1 COMPOUNDS, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF IIII AstraZeneca AB (SE) 2007-06-20 EP claimed
WO-2006033627-A1 COMPOUNDS, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF IIII ASTRAZENECA AB (SE) 2006-03-30 WO claimed
EP-1797074-A4 COMPOUNDS, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF IIII ASTRAZENECA AB (SE) 2009-04-01 EP disclosed
EP-1797074-A1 COMPOUNDS, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF IIII AstraZeneca AB (SE) 2007-06-20 EP disclosed
WO-2006033627-A1 COMPOUNDS, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF IIII ASTRAZENECA AB (SE) 2006-03-30 WO disclosed