SCHEMBL2880161

SCHEMBL2880161

CS(=O)(=O)N(C(=O)NCc1cccc(F)c1Cl)[C@@H](CCCN1C(=O)c2ccccc2C1=O)COC(=O)Nc1ccc(Cl)cn1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
F10 P00742 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
FPR1 P21462 1/20 0.33
FPR2 P25090 1/20 0.33
GAA P10253 1/20 0.33
ACHE P22303 3/20 0.32

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
SCHEMBL2880162 1.00 SMN1; SMN2 (0.41) SMN1; SMN2TDP1ALDH1A1MAPTHTT
SCHEMBL213919 0.92 SMN1; SMN2 (0.42) SMN1; SMN2TDP1ALDH1A1MAPTHTT
SCHEMBL213917 0.92 SMN1; SMN2 (0.42) SMN1; SMN2TDP1ALDH1A1MAPTHTT
SCHEMBL213918 0.92 SMN1; SMN2 (0.42) SMN1; SMN2TDP1ALDH1A1MAPTHTT
SCHEMBL210513 0.84 HTT (0.35) SMN1; SMN2HTTMEN1KMT2ALMNA
SCHEMBL210514 0.84 HTT (0.35) SMN1; SMN2HTTMEN1KMT2ALMNA
SCHEMBL210515 0.84 HTT (0.35) SMN1; SMN2HTTMEN1KMT2ALMNA
SCHEMBL211266 0.82 CTSK (0.34) ALDH1A1HTTMEN1KMT2ATSHR
SCHEMBL212993 0.80 GRM5 (0.32) SMN1; SMN2HTTMEN1KMT2ATSHR
SCHEMBL212992 0.80 GRM5 (0.32) SMN1; SMN2HTTMEN1KMT2ATSHR

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
EP-2195328-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Incorporated (US) 2010-06-16 EP disclosed
WO-2009023193-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-02-19 WO disclosed