SCHEMBL5048888

SCHEMBL5048888

CCCCCCCCCCCCNS(=O)(=O)c1ccc(CN(O)Cc2ccccc2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.53
TSHR P16473 3/20 0.53
KMT2A Q03164 3/20 0.53
HTT P42858 2/20 0.53
MEN1 O00255 2/20 0.53
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
RECQL P46063 1/20 0.43
ALDH1A1 P00352 5/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.41
EPHX2 P34913 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CNR2 P34972 1/20 0.39
TBXA2R P21731 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
TMEM97 Q5BJF2 1/20 0.38

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
SCHEMBL5047516 0.89 SMN1; SMN2 (0.54) SMN1; SMN2TSHRKMT2AHTTMEN1
SCHEMBL1856431 0.86 SMN1; SMN2 (0.50) SMN1; SMN2TSHRKMT2AHTTMEN1
SCHEMBL6719223 0.85 SMN1; SMN2 (0.49) SMN1; SMN2TSHRKMT2AHTTMEN1
SCHEMBL4715831 0.83 TSHR (0.60) SMN1; SMN2TSHRKMT2AHTTMEN1
SCHEMBL4714622 0.83 TSHR (0.56) SMN1; SMN2TSHRKMT2AHTTMEN1
SCHEMBL1852856 0.82 SMN1; SMN2 (0.46) SMN1; SMN2TSHRKMT2AHTTMEN1
SCHEMBL1856043 0.81 SMN1; SMN2 (0.56) SMN1; SMN2TSHRKMT2AHTTMEN1
SCHEMBL1854689 0.78 SMN1; SMN2 (0.44) SMN1; SMN2TSHRKMT2AHTTMEN1
SCHEMBL4715407 0.78 SMN1; SMN2 (0.69) SMN1; SMN2TSHRKMT2AHTTMEN1
SCHEMBL1853214 0.78 TSHR (0.43) SMN1; SMN2TSHRKMT2AHTTMEN1

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
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed