SCHEMBL5263576

SCHEMBL5263576

CC(c1ccc(Cl)cc1)C(CNC(=O)c1cncnc1)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 1/20 0.41
TP53 P04637 2/20 0.40
MAPT P10636 1/20 0.40
CYP19A1 P11511 1/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
ALOX12 P18054 1/20 0.39
KCNH2 Q12809 1/20 0.39
ITGAV P06756 1/20 0.39
GPR139 Q6DWJ6 1/20 0.39
HPGD P15428 1/20 0.39
SLC6A9 P48067 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL5266049 0.86 RAB9A (0.60) RAB9ASMN1; SMN2MEN1KMT2ATSHR
SCHEMBL5262392 0.85 SLC6A9 (0.53) RAB9ASMN1; SMN2MEN1KMT2ATSHR
SCHEMBL5264953 0.83 CCR5 (0.42) RAB9ASMN1; SMN2MEN1KMT2ATP53
SCHEMBL5262774 0.82 SLC6A9 (0.54) RAB9ASMN1; SMN2MEN1KMT2ATP53
SCHEMBL5262488 0.81 SLC6A9 (0.55) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL5264103 0.80 CYP1A2 (0.58) RAB9ASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL5261742 0.80 KMT2A (0.52) RAB9ASMN1; SMN2MEN1KMT2ALMNA
SCHEMBL5264331 0.80 LMNA (0.52) SMN1; SMN2MEN1KMT2ATSHRTP53
SCHEMBL5264039 0.79 KMT2A (0.53) RAB9ASMN1; SMN2MEN1KMT2ATP53
SCHEMBL5260012 0.78 UTS2R (0.53) RAB9ASMN1; SMN2MEN1KMT2AMAPT

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