SCHEMBL28752191

SCHEMBL28752191

CCCCCCCCCCCCNS(=O)(=O)c1ccc(CN2C(O)c3ccccc3C2O)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
MEN1 O00255 4/20 0.52
HTT P42858 4/20 0.52
TSHR P16473 3/20 0.52
RECQL P46063 1/20 0.42
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
EPHX2 P34913 1/20 0.38
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 5/20 0.37
LMNA P02545 4/20 0.37
TP53 P04637 3/20 0.37
MAPT P10636 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TBXA2R P21731 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
SCHEMBL1856563 0.78 TSHR (0.54) KMT2ASMN1; SMN2MEN1HTTTSHR
SCHEMBL4715407 0.77 SMN1; SMN2 (0.69) KMT2ASMN1; SMN2MEN1HTTTSHR
SCHEMBL4715831 0.76 TSHR (0.60) KMT2ASMN1; SMN2MEN1HTTTSHR
SCHEMBL1853154 0.75 KMT2A (0.66) KMT2ASMN1; SMN2MEN1HTTTSHR
SCHEMBL4714622 0.73 TSHR (0.56) KMT2ASMN1; SMN2MEN1HTTTSHR
SCHEMBL1856043 0.73 SMN1; SMN2 (0.56) KMT2ASMN1; SMN2MEN1HTTTSHR
SCHEMBL5048888 0.72 SMN1; SMN2 (0.53) KMT2ASMN1; SMN2MEN1HTTTSHR
SCHEMBL4715815 0.70 KMT2A (0.71) KMT2ASMN1; SMN2MEN1HTTTSHR
SCHEMBL1856431 0.70 SMN1; SMN2 (0.50) KMT2ASMN1; SMN2MEN1HTTTSHR
SCHEMBL1854872 0.70 KMT2A (0.55) KMT2ASMN1; SMN2MEN1HTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100410236-C Substituted methylene amide derivatives as protein tyrosine phosphatase modulators APPLIED RESEARCH SYSTEMS (CH) 2008-08-13 CN disclosed
CN-1633410-A Substituted methylene amide derivatives as protein tyrosine phosphatase modulators APPLIED RESEARCH SYSTEMS (AN) 2005-06-29 CN disclosed