SCHEMBL2353573

SCHEMBL2353573

Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1-c1ccc(CNCc2cccc(Cl)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.54
RAF1 P04049 3/20 0.50
BRAF P15056 3/20 0.50
MAPT P10636 2/20 0.50
ALDH1A1 P00352 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
TP53 P04637 1/20 0.48
PKM P14618 1/20 0.48
MAPK1 P28482 1/20 0.48
LCK P06239 1/20 0.48
CSF1R P07333 1/20 0.48
KDR P35968 1/20 0.48
MAP2K1 Q02750 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
FGFR1 P11362 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
SCHEMBL2348622 0.92 MAPK14 (0.54) MAPK14RAF1BRAFMAPTALDH1A1
SCHEMBL2350840 0.89 KCNQ2 (0.60) MAPK14RAF1BRAFMAPTALDH1A1
SCHEMBL2347316 0.87 MAPK14 (0.54) MAPK14RAF1BRAFRAB9ANPC1
SCHEMBL2344412 0.84 MAPK14 (0.57) MAPK14RAF1BRAFMAPTALDH1A1
SCHEMBL2349181 0.84 MAPK14 (0.63) MAPK14RAF1BRAFMAPTALDH1A1
SCHEMBL2351570 0.83 MAPK14 (0.51) MAPK14RAF1BRAFMAPTALDH1A1
SCHEMBL2347606 0.83 MAPK14 (0.55) MAPK14RAF1BRAFMAPTALDH1A1
SCHEMBL2342385 0.83 PKM (0.61) MAPK14RAF1BRAFMAPTALDH1A1
SCHEMBL2352480 0.83 PKM (0.70) MAPK14RAF1BRAFMAPTALDH1A1
SCHEMBL2346273 0.82 RAB9A (0.61) MAPK14MAPTALDH1A1RAB9ANPC1

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