SCHEMBL4975574

SCHEMBL4975574

Cc1cc(Br)ccc1N(C)C(=O)c1ccc(Sc2ccc(NC(=O)O)cc2)c(N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.44
ALDH1A1 P00352 6/20 0.44
HPGD P15428 4/20 0.44
LMNA P02545 4/20 0.44
KDM4E B2RXH2 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HDAC1 Q13547 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
PKM P14618 1/20 0.36
TP53 P04637 2/20 0.35
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
JAK2 O60674 1/20 0.34
GPR27 Q9NS67 1/20 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
SCHEMBL4976907 0.88 MAPT (0.51) MAPTALDH1A1HPGDLMNAKDM4E
SCHEMBL1455785 0.85 MAPT (0.39) MAPTALDH1A1HPGDLMNAKDM4E
SCHEMBL4986213 0.85 ALDH1A1 (0.55) MAPTALDH1A1LMNAL3MBTL1NPSR1
SCHEMBL4975567 0.79 MAPT (0.47) MAPTALDH1A1HPGDLMNAKDM4E
SCHEMBL4975659 0.79 MAPT (0.43) MAPTALDH1A1HPGDLMNAKDM4E
SCHEMBL1454864 0.75 MAPT (0.46) MAPTALDH1A1HPGDLMNAKDM4E
SCHEMBL4976624 0.73 ALDH1A1 (0.55) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL2971539 0.73 HDAC1 (0.53) MAPTALDH1A1HPGDLMNAKDM4E
SCHEMBL1454126 0.72 MAPT (0.47) MAPTALDH1A1LMNAL3MBTL1MEN1
SCHEMBL4976896 0.71 MAPT (0.52) MAPTALDH1A1HPGDLMNAKDM4E

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