SCHEMBL4976907

SCHEMBL4976907

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
ALDH1A1 P00352 5/20 0.51
HPGD P15428 4/20 0.51
LMNA P02545 4/20 0.51
KDM4E B2RXH2 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
THRB P10828 2/20 0.37
HTT P42858 1/20 0.37
HDAC1 Q13547 1/20 0.36
JAK2 O60674 1/20 0.36
TP53 P04637 2/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34

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
SCHEMBL4975574 0.88 MAPT (0.44) MAPTALDH1A1HPGDLMNAKDM4E
SCHEMBL1454864 0.86 MAPT (0.46) MAPTALDH1A1HPGDLMNAKDM4E
SCHEMBL4976624 0.85 ALDH1A1 (0.55) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL4976896 0.79 MAPT (0.52) MAPTALDH1A1HPGDLMNAKDM4E
SCHEMBL1455785 0.76 MAPT (0.39) MAPTALDH1A1HPGDLMNAKDM4E
SCHEMBL4986213 0.73 ALDH1A1 (0.55) MAPTALDH1A1LMNAL3MBTL1NPSR1
SCHEMBL18585543 0.73 GPBAR1 (0.46) MAPTALDH1A1MAPK1GPBAR1
SCHEMBL1456217 0.72 ALDH1A1 (0.47) MAPTALDH1A1LMNANPSR1SMN1; SMN2
SCHEMBL4975659 0.71 MAPT (0.43) MAPTALDH1A1HPGDLMNAKDM4E
SCHEMBL4975567 0.71 MAPT (0.47) 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