SCHEMBL8720710

SCHEMBL8720710

O=C1CCC(c2csc3c2CC(NS(=O)(=O)c2ccccc2)CC3)=NN1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
RB1 P06400 1/20 0.36
PKM P14618 1/20 0.34
TBXA2R P21731 5/20 0.34
PTGDR Q13258 3/20 0.34
PTGDR2 Q9Y5Y4 3/20 0.34
BRD4 O60885 3/20 0.34
ABCB11 O95342 1/20 0.33
CYP2C9 P11712 1/20 0.33
DRD1 P21728 1/20 0.33
CCKAR P32238 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
CTSB P07858 3/20 0.32
CTSK P43235 3/20 0.32
UCHL1 P09936 2/20 0.32

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
SCHEMBL8717910 0.92 SMN1; SMN2 (0.38) SMN1; SMN2RB1PKMTBXA2RPTGDR
SCHEMBL8715076 0.87 BRD4 (0.34) SMN1; SMN2PKMBRD4CYP2C9ALDH1A1
SCHEMBL9414927 0.78 PNMT (0.40) SMN1; SMN2RB1PKMTBXA2RPSEN1
SCHEMBL9414815 0.77 SMN1; SMN2 (0.38) SMN1; SMN2RB1TBXA2RPSEN1PSEN2
SCHEMBL8714966 0.75 MTNR1A (0.33) SMN1; SMN2ALDH1A1KCNH2
SCHEMBL9414693 0.74 SMN1; SMN2 (0.36) SMN1; SMN2KCNH2
Iodide SCHEMBL8720179 0.73 SMN1; SMN2 (0.35) SMN1; SMN2KCNH2
SCHEMBL8110725 0.70 SMN1; SMN2 (0.48) SMN1; SMN2
SCHEMBL8718071 0.67 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1KCNH2
SCHEMBL8717945 0.67 PDE4B (0.33) SMN1; SMN2PKMCYP2C9ALDH1A1

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
US-5739132-A ENDOTHOXIN SHOCK; NEPHRITIS TANABE SEIYAKU CO., LTD. (JP) 1998-04-14 US disclosed