SCHEMBL17354598

SCHEMBL17354598

CC1CCc2cc(-c3ccc(Cl)c(Cl)c3)n(-c3cccc(C(=O)O)c3)c2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
TP53 P04637 5/20 0.43
THRB P10828 1/20 0.42
LMNA P02545 2/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
MYC P01106 1/20 0.40
HSPA1A P0DMV8 1/20 0.40
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40
NR4A1 P22736 1/20 0.40
PTPN7 P35236 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40

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
SCHEMBL2993831 0.87 MAPT (0.55) MAPTTP53THRBLMNAKDM4E
SCHEMBL2993827 0.87 MAPT (0.55) MAPTTP53THRBLMNAKDM4E
SCHEMBL2991024 0.87 RPA1 (0.38) MAPTTP53KDM4EALDH1A1POLB
SCHEMBL2988858 0.83 MAPT (0.41) MAPTTP53THRBLMNAKDM4E
SCHEMBL16016138 0.81 MAPT (0.43) MAPTTP53THRBLMNAKDM4E
SCHEMBL2991496 0.81 MAPT (0.39) MAPTTP53THRBLMNAKDM4E
SCHEMBL2988602 0.80 MAPT (0.42) MAPTTP53THRBLMNAKDM4E
SCHEMBL3323176 0.80 MAPT (0.64) MAPTTP53THRBLMNAKDM4E
SCHEMBL16016116 0.79 KDM5A (0.36) MAPTTP53THRBKDM4EALDH1A1
SCHEMBL17354602 0.79 S1PR1 (0.36) MAPTTP53THRBLMNAKDM4E

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-9216966-B2 Compounds for Alzheimer's disease Manfredi, John (US) 2015-12-22 US disclosed