SCHEMBL2350840

SCHEMBL2350840

Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1-c1ccc(NC(=O)Cc2cccc(Cl)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 2/20 0.60
MAPK14 Q16539 8/20 0.55
SMN1; SMN2 Q16637 1/20 0.53
MAPT P10636 4/20 0.51
USP2 O75604 1/20 0.51
POLB P06746 1/20 0.51
THRB P10828 1/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
RAF1 P04049 3/20 0.51
BRAF P15056 3/20 0.51
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL2353573 0.89 MAPK14 (0.54) MAPK14SMN1; SMN2MAPTHTTL3MBTL1
SCHEMBL2348622 0.89 MAPK14 (0.54) MAPK14MAPTALDH1A1TDP1RAF1
SCHEMBL2347316 0.85 MAPK14 (0.54) MAPK14RAF1BRAFNPC1RAB9A
SCHEMBL2352480 0.83 PKM (0.70) MAPK14SMN1; SMN2MAPTALDH1A1RAF1
SCHEMBL2342385 0.82 PKM (0.61) MAPK14SMN1; SMN2MAPTALDH1A1RAF1
SCHEMBL12394214 0.81 NPC1 (0.74) MAPK14SMN1; SMN2MAPTL3MBTL1ALDH1A1
SCHEMBL1140199 0.81 RAF1 (0.67) MAPK14SMN1; SMN2MAPTHTTALDH1A1
SCHEMBL2346273 0.81 RAB9A (0.61) MAPK14SMN1; SMN2MAPTPOLBALDH1A1
SCHEMBL2354124 0.81 RAB9A (0.61) MAPK14SMN1; SMN2MAPTPOLBALDH1A1
SCHEMBL2346560 0.81 RARA (0.66) MAPK14SMN1; SMN2MAPTALDH1A1RAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008303-B2 e.g. 6-Methyl-biphenyl-3,4'-dicarboxylic acid 4'-[(3-bromo-phenyl)-amide]-[(4 morpholin-4-yl-phenyl)-amide]; viricide; with other active viricide such as interferon or ribavirin ASTRAZENECA AB (SE) 2011-08-30 US disclosed