SCHEMBL8210331

SCHEMBL8210331

COc1cc(N)c(C(=N)Nc2ccc(F)c(Cl)c2)cc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
HTT P42858 2/20 0.45
HDAC3 O15379 1/20 0.45
EGFR P00533 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
HPGD P15428 1/20 0.45
FADS1 O60427 1/20 0.44
MEN1 O00255 5/20 0.43

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
SCHEMBL16199864 0.81 MAPT (0.43) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL13267376 0.80 MAPT (0.44) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL16489240 0.79 KDM4E (0.56) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL18176627 0.75 MEN1 (0.48) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL16489232 0.75 MAPT (0.48) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL14214643 0.71 MAPT (0.67) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL16489241 0.71 MAPT (0.46) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL16489227 0.71 GRM4 (0.48) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL28514103 0.70 HDAC3 (0.60) MAPTNPC1RAB9ASMN1; SMN2HDAC3
SCHEMBL29397593 0.70 MAPT (0.46) MAPTNPC1RAB9ASMN1; SMN2HTT

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
WO-2008033747-A9 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS INC (MA) 2008-07-24 WO disclosed
WO-2008033747-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS, INC. (US) 2008-03-20 WO disclosed