SCHEMBL4688671

SCHEMBL4688671

CCCCC(CNC(=O)COc1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
RECQL P46063 1/20 0.51
ADAMTS5 Q9UNA0 2/20 0.51
LMNA P02545 3/20 0.49
THRB P10828 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 3/20 0.48
MAPT P10636 3/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 2/20 0.47
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
POLB P06746 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
FNTA P49354 1/20 0.46

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
SCHEMBL4689641 0.86 LMNA (0.52) ADAMTS5LMNATHRBL3MBTL1ALDH1A1
SCHEMBL4692247 0.78 ADAMTS5 (0.54) ADAMTS5LMNATHRBL3MBTL1ALDH1A1
SCHEMBL13113991 0.78 THRB (0.57) ADAMTS5LMNATHRBL3MBTL1ALDH1A1
SCHEMBL4693971 0.77 THRB (0.53) ADAMTS5LMNATHRBL3MBTL1ALDH1A1
SCHEMBL10354480 0.75 GPR34 (0.55) RECQLLMNATHRBL3MBTL1ALDH1A1
SCHEMBL3528214 0.74 SMN1; SMN2 (0.54) LMNATHRBL3MBTL1ALDH1A1KMT2A
SCHEMBL11822749 0.73 SMN1; SMN2 (0.56) LMNAALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL27754995 0.73 RAB9A (0.67) TSHRADAMTS5L3MBTL1ALDH1A1KMT2A
SCHEMBL10872622 0.72 POLB (0.60) TSHRADAMTS5L3MBTL1ALDH1A1KMT2A
SCHEMBL27707698 0.71 MTNR1A (0.44) TSHRLMNATHRBALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1496838-A4 SUBSTITUTED AMIDES MERCK & CO INC (US) 2008-07-02 EP claimed
EP-1496838-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (US) 2005-01-19 EP claimed
WO-2003077847-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2003-09-25 WO claimed
EP-1496838-A4 SUBSTITUTED AMIDES MERCK & CO INC (US) 2008-07-02 EP disclosed
EP-1496838-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (US) 2005-01-19 EP disclosed
WO-2003077847-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2003-09-25 WO disclosed