SCHEMBL5263458

SCHEMBL5263458

CC(c1ccc(Cl)cc1)C(CNC(=O)c1ccc2ncccc2n1)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.42
CBLB Q13191 1/20 0.41
GAA P10253 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
PABPC1 P11940 1/20 0.38
KMT2A Q03164 1/20 0.38
EIF4H Q15056 1/20 0.38
FFAR2 O15552 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
HTR1A P08908 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
SCHEMBL5261544 0.83 TLR7 (0.52) L3MBTL1GAANPC1RAB9AMEN1
SCHEMBL5261775 0.81 NSD2 (0.52) L3MBTL1MEN1PABPC1KMT2AEIF4H
SCHEMBL5263456 0.79 CNR1 (0.49)
SCHEMBL5261011 0.78 ALDH1A1 (0.47) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL5262900 0.77 NSD2 (0.45) L3MBTL1SMN1; SMN2MEN1PABPC1KMT2A
SCHEMBL5262364 0.77 TLR7 (0.43) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL5264103 0.77 CYP1A2 (0.58) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5260011 0.77 EGLN1 (0.41) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL5265142 0.75 FAAH (0.50) L3MBTL1MAPTGAANPC1RAB9A
SCHEMBL5266049 0.75 RAB9A (0.60) L3MBTL1MAPTNPC1RAB9ASMN1; SMN2

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