SCHEMBL5047516

SCHEMBL5047516

CCCCCCCCCCCCNS(=O)(=O)c1ccc(CN(O)Cc2cccc(Cl)c2)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
KMT2A Q03164 3/20 0.54
TSHR P16473 3/20 0.54
MEN1 O00255 2/20 0.54
HTT P42858 2/20 0.54
TP53 P04637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.40
EPHX1 P07099 3/20 0.37
RECQL P46063 1/20 0.37
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
AKR1C3 P42330 1/20 0.36
EPHX2 P34913 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36

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
SCHEMBL5048888 0.89 SMN1; SMN2 (0.53) SMN1; SMN2KMT2ATSHRMEN1HTT
SCHEMBL1852104 0.87 KMT2A (0.50) SMN1; SMN2KMT2ATSHRMEN1HTT
SCHEMBL5048907 0.79 GUSB (0.44) AKR1C3EPHX2
SCHEMBL1853214 0.78 TSHR (0.43) SMN1; SMN2KMT2ATSHRMEN1HTT
SCHEMBL4020745 0.77 SMN1; SMN2 (0.48) SMN1; SMN2KMT2ATSHRALDH1A1LMNA
SCHEMBL4714622 0.76 TSHR (0.56) SMN1; SMN2KMT2ATSHRMEN1HTT
SCHEMBL1856431 0.76 SMN1; SMN2 (0.50) SMN1; SMN2KMT2ATSHRMEN1HTT
SCHEMBL4022476 0.76 SMN1; SMN2 (0.43) SMN1; SMN2KMT2ATSHRMEN1HTT
SCHEMBL6719223 0.75 SMN1; SMN2 (0.49) SMN1; SMN2KMT2ATSHRMEN1HTT
SCHEMBL4715831 0.75 TSHR (0.60) SMN1; SMN2KMT2ATSHRMEN1HTT

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