SCHEMBL4975659

SCHEMBL4975659

CC(C)N(C(=O)c1ccc(Sc2ccc(NC(=O)O)cc2)c(N)c1)c1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
HPGD P15428 4/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPSR1 Q6W5P4 1/20 0.40
HDAC8 Q9BY41 4/20 0.37
TP53 P04637 3/20 0.36
FPR2 P25090 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HDAC1 Q13547 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33

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
SCHEMBL1455516 0.84 MAPT (0.39) MAPTHPGDALDH1A1KDM4ELMNA
SCHEMBL4975574 0.79 MAPT (0.44) MAPTHPGDALDH1A1KDM4ELMNA
SCHEMBL4975567 0.74 MAPT (0.47) MAPTHPGDALDH1A1KDM4ELMNA
SCHEMBL1455233 0.72 MAPT (0.51) MAPTHPGDALDH1A1KDM4ELMNA
SCHEMBL1454546 0.72 TP53 (0.49) MAPTHPGDALDH1A1KDM4ELMNA
SCHEMBL4976907 0.71 MAPT (0.51) MAPTHPGDALDH1A1KDM4ELMNA
SCHEMBL1454100 0.71 MAPT (0.47) MAPTALDH1A1LMNANPSR1SMN1; SMN2
SCHEMBL2971539 0.70 HDAC1 (0.53) MAPTHPGDALDH1A1KDM4ELMNA
SCHEMBL1455205 0.69 MAPT (0.46) MAPTHPGDALDH1A1KDM4ELMNA
SCHEMBL4976896 0.68 MAPT (0.52) MAPTHPGDALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979348-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
WO-2007076034-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 WO disclosed