SCHEMBL27705295

SCHEMBL27705295

Oc1[c]ccc(OCc2ccc(CCBr)cc2)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
STAT3 P40763 2/20 0.33
TP53 P04637 2/20 0.33
POLB P06746 2/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
FFAR1 O14842 2/20 0.33
FFAR4 Q5NUL3 2/20 0.33
SLC2A1 P11166 1/20 0.33
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HPGD P15428 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
MAOB P27338 2/20 0.32
APP P05067 1/20 0.32
BCHE P06276 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL10799322 0.80 MEN1 (0.36) MEN1KMT2ATP53FFAR1FFAR4
SCHEMBL10975508 0.72 ESR1 (0.35) TP53THRBBCHE
SCHEMBL27686272 0.69 SMN1; SMN2 (0.39) MEN1KMT2ATP53MAPTSMN1; SMN2
SCHEMBL27686308 0.68 PDK2 (0.36) MEN1KMT2AMAPTFFAR1FFAR4
SCHEMBL6504472 0.66 MAPK14 (0.48) MAPTSMN1; SMN2HPGDRXRARXRB
SCHEMBL28567295 0.66 TP53 (0.35) TP53POLBGAAMAPTHPGD
SCHEMBL21647153 0.65 LMNA (0.44) MEN1KMT2ATP53GAAMAPT
SCHEMBL4130095 0.64 MAPT (0.59) STAT3MAPTFFAR4SMN1; SMN2HDAC6
SCHEMBL990720 0.64 KMT2A (0.69) MEN1KMT2ATP53TDP1
SCHEMBL10799286 0.63 GPR84 (0.34) FFAR1FFAR4BCHE

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101955470-A Glutamate receptor potentiators LILLY CO ELI 2011-01-26 CN disclosed
CN-101061106-B Glutamate receptor potentiators LILLY CO ELI 2010-09-29 CN disclosed
CN-101061106-A Glutamate receptor potentiators LILLY CO ELI (US) 2007-10-24 CN disclosed