SCHEMBL2347950

SCHEMBL2347950

Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1-c1ccc(C(=O)Nc2ccc3cn[nH]c3c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 6/20 0.62
MAP4K4 O95819 1/20 0.60
CLK2 P49760 1/20 0.60
DYRK1A Q13627 1/20 0.60
SRPK1 Q96SB4 1/20 0.60
CLK4 Q9HAZ1 1/20 0.60
MAPT P10636 4/20 0.53
ALDH1A1 P00352 3/20 0.53
NPC1 O15118 2/20 0.53
LMNA P02545 2/20 0.53
RAB9A P51151 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MAOB P27338 6/20 0.53
KDM4E B2RXH2 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ESR1 P03372 1/20 0.51

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
SCHEMBL2906655 0.88 MAP4K4 (0.60) DDR2MAP4K4CLK2DYRK1ASRPK1
SCHEMBL2350752 0.84 MAPK14 (0.59) DDR2MAP4K4CLK2DYRK1ASRPK1
SCHEMBL2914486 0.80 KMT2A (0.57) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL2342393 0.80 MAPK14 (0.71) DDR2MAPTALDH1A1NPC1LMNA
SCHEMBL15764694 0.78 NPC1 (0.76) MAP4K4CLK2DYRK1ACLK4NPC1
SCHEMBL13198179 0.77 DDR2 (1.00) DDR2
SCHEMBL3378320 0.76 RAB9A (0.80) MAP4K4CLK2DYRK1ASRPK1CLK4
SCHEMBL29429758 0.76 RAB9A (0.80) MAP4K4CLK2DYRK1ASRPK1CLK4
SCHEMBL7369804 0.75 NPC1 (0.82) MAP4K4CLK2DYRK1ASRPK1CLK4
SCHEMBL2343132 0.75 NPC1 (0.60) ALDH1A1NPC1LMNARAB9AMEN1

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