SCHEMBL5264039

SCHEMBL5264039

CC(c1ccc(Cl)cc1)C(CNC(=O)c1cccc(Cl)c1)c1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
GPR139 Q6DWJ6 2/20 0.53
ATM Q13315 2/20 0.53
GAA P10253 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HPGD P15428 2/20 0.49
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48

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
SCHEMBL5262774 0.88 SLC6A9 (0.54) KMT2AMEN1GPR139GAAHSD17B10
SCHEMBL5266049 0.86 RAB9A (0.60) KMT2AMEN1GPR139ALDH1A1CYP1A2
SCHEMBL5373381 0.84 UTS2R (0.55) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL17847355 0.82 KMT2A (0.78) KMT2AMEN1GPR139ATMGAA
SCHEMBL5262488 0.81 SLC6A9 (0.55) KMT2AMEN1GPR139RAB9ASMN1; SMN2
SCHEMBL5260012 0.81 UTS2R (0.53) KMT2AMEN1GPR139RAB9ASMN1; SMN2
SCHEMBL5262392 0.80 SLC6A9 (0.53) KMT2AMEN1RAB9ASMN1; SMN2TP53
SCHEMBL5259145 0.80 ALDH1A1 (0.46) KMT2AMEN1GAAHSD17B10ALDH1A1
SCHEMBL5260359 0.80 KMT2A (0.40) KMT2AMEN1GPR139ATMGAA
SCHEMBL5263362 0.79 KMT2A (0.41) KMT2AMEN1GAAHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1494997-A4 SUBSTITUTED ARYL AMIDES MERCK & CO INC (US) 2007-04-11 EP claimed
JP-2005527586-A 2005-09-15 JP claimed
EP-1494997-A1 SUBSTITUTED ARYL AMIDES Merck & Co., Inc. (US) 2005-01-12 EP claimed
WO-2003087037-A1 SUBSTITUTED ARYL AMIDES MERCK & CO., INC. (US) 2003-10-23 WO claimed
EP-1494997-A4 SUBSTITUTED ARYL AMIDES MERCK & CO INC (US) 2007-04-11 EP disclosed
EP-1494997-A1 SUBSTITUTED ARYL AMIDES Merck & Co., Inc. (US) 2005-01-12 EP disclosed
WO-2003087037-A1 SUBSTITUTED ARYL AMIDES MERCK & CO., INC. (US) 2003-10-23 WO disclosed