SCHEMBL28752186

SCHEMBL28752186

CCCCCCCCCCCCNC(=O)c1cccc(CNCc2nccs2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
NAAA Q02083 2/20 0.48
ROCK2 O75116 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
CAMK2D Q13557 1/20 0.42
LMNA P02545 1/20 0.42
KDM1A O60341 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
PSMD14 O00487 1/20 0.42
STAMBP O95630 1/20 0.42
COPS5 Q92905 1/20 0.42
TP53BP1 Q12888 1/20 0.42
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
MLYCD O95822 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL28942011 0.87 NAAA (0.53) SMN1; SMN2NAAALMNAL3MBTL1HDAC11
SCHEMBL5044578 0.85 SMN1; SMN2 (0.48) SMN1; SMN2NAAACAMK2DLMNAL3MBTL1
SCHEMBL1855567 0.84 NAAA (0.46) SMN1; SMN2NAAACAMK2DLMNACYP1A2
SCHEMBL27601089 0.83 NAAA (0.62) SMN1; SMN2NAAAROCK2BCHEACHE
SCHEMBL1855176 0.82 NAAA (0.68) SMN1; SMN2NAAAROCK2BCHEACHE
SCHEMBL28752185 0.82 SNCA (0.55) SMN1; SMN2NAAAROCK2BCHEKDM1A
SCHEMBL27601110 0.82 SMN1; SMN2 (0.54) SMN1; SMN2NAAAROCK2BCHEACHE
SCHEMBL27619615 0.81 NAAA (0.53) SMN1; SMN2NAAAROCK2BCHEACHE
SCHEMBL27619602 0.81 TRPV1 (0.57) SMN1; SMN2NAAAHDAC8NPC1RAB9A
SCHEMBL27619583 0.80 SMN1; SMN2 (0.58) SMN1; SMN2NAAAROCK2KDM1AL3MBTL1

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