SCHEMBL1856185

SCHEMBL1856185

CCCCCCCCCCCCNS(=O)(=O)c1ccc(C[N]C2CCCC2)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.54
KMT2A Q03164 5/20 0.54
HTT P42858 3/20 0.54
TSHR P16473 3/20 0.54
MEN1 O00255 2/20 0.54
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
GAA P10253 1/20 0.39
RECQL P46063 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 2/20 0.37
LMNA P02545 3/20 0.36
TP53 P04637 2/20 0.36
MAPT P10636 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL1854872 0.81 KMT2A (0.55) SMN1; SMN2KMT2AHTTTSHRMEN1
SCHEMBL4715407 0.79 SMN1; SMN2 (0.69) SMN1; SMN2KMT2AHTTTSHRMEN1
SCHEMBL5044430 0.78 KMT2A (0.52) SMN1; SMN2KMT2AHTTTSHRMEN1
SCHEMBL4714622 0.77 TSHR (0.56) SMN1; SMN2KMT2AHTTTSHRMEN1
SCHEMBL1853154 0.76 KMT2A (0.66) SMN1; SMN2KMT2AHTTTSHRMEN1
SCHEMBL1853562 0.74 KMT2A (0.50) SMN1; SMN2KMT2AHTTTSHRMEN1
SCHEMBL1855668 0.74 SMN1; SMN2 (0.47) SMN1; SMN2KMT2AHTTTSHRMEN1
SCHEMBL4711870 0.73 HTT (0.52) SMN1; SMN2KMT2AHTTTSHRMEN1
SCHEMBL4019037 0.73 HTT (0.51) SMN1; SMN2KMT2AHTTTSHRMEN1
SCHEMBL4715831 0.72 TSHR (0.60) SMN1; SMN2KMT2AHTTTSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470102-B1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) MERCK SERONO SA (CH) 2011-05-25 EP disclosed
EP-1986637-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS Laboratoires Serono SA (CH) 2008-11-05 EP disclosed
WO-2007093557-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS LABORATOIRES SERONO S.A. (CH) 2007-08-23 WO disclosed