SCHEMBL16623342

SCHEMBL16623342

Nc1ccc(C(=O)Nc2ccc(-c3nc4ccc(OCCO)cc4s3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.55
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
ALDH1A1 P00352 2/20 0.55
HPGD P15428 2/20 0.55
KDM4E B2RXH2 2/20 0.55
GAA P10253 2/20 0.55
MITF O75030 1/20 0.55
POLB P06746 1/20 0.55
NFKB1 P19838 1/20 0.55
RECQL P46063 1/20 0.55
GFER P55789 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
PAX8 Q06710 1/20 0.55
KLF5 Q13887 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
LMNA P02545 1/20 0.53
SCD O00767 2/20 0.53
APP P05067 2/20 0.52

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
SCHEMBL1987631 0.90 MMP2 (0.65) MAPTNPC1RAB9ALMNASCD
SCHEMBL2194729 0.88 MAPT (0.61) MAPTNPC1RAB9ALMNASCD
SCHEMBL2193898 0.88 MAPT (0.55) MAPTNPC1RAB9AALDH1A1KDM4E
SCHEMBL2191507 0.87 APP (0.71) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL12421986 0.86 MAPT (0.68) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL21887622 0.85 NPC1 (0.67) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL2195372 0.83 MAPT (0.56) MAPTNPC1RAB9ALMNASCD
SCHEMBL2192885 0.82 APP (0.70) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL15224059 0.81 NPC1 (0.65) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL2192742 0.81 MAPT (0.73) MAPTNPC1RAB9AALDH1A1HPGD

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
EP-2338059-B1 Ligands for aggregated tau molecules WISTA LAB LTD (SG) 2015-04-08 EP disclosed