SCHEMBL4693971

SCHEMBL4693971

CC(c1ccc(Cl)cc1)C(CNC(=O)COc1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.53
ADAMTS5 Q9UNA0 1/20 0.53
TP53 P04637 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
RAB9A P51151 2/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 4/20 0.48
HTT P42858 2/20 0.48
MAPT P10636 2/20 0.48
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL4692247 0.99 ADAMTS5 (0.54) THRBADAMTS5TP53SMN1; SMN2KMT2A
SCHEMBL4689029 0.81 ADORA3 (0.45) SMN1; SMN2LMNAMAPTALDH1A1POLB
SCHEMBL4691514 0.80 GPR139 (0.47) ADAMTS5RAB9AKMT2AMEN1NPC1
SCHEMBL4688551 0.80 ADORA3 (0.46) SMN1; SMN2LMNAMAPTALDH1A1POLB
SCHEMBL2653467 0.79 CNR1 (0.62) SMN1; SMN2HTTMAPTALDH1A1POLB
SCHEMBL4689641 0.79 LMNA (0.52) THRBADAMTS5TP53SMN1; SMN2KMT2A
SCHEMBL4691613 0.79 CNR1 (0.62) SMN1; SMN2HTTMAPTALDH1A1POLB
SCHEMBL5262774 0.78 SLC6A9 (0.54) TP53SMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL4688417 0.78 GPR139 (0.48) ADAMTS5RAB9AKMT2AMEN1NPC1
SCHEMBL4690861 0.78 CNR1 (0.63) SMN1; SMN2HTTMAPTALDH1A1POLB

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