SCHEMBL14036685

SCHEMBL14036685

Bc1cc(OC)c(CNC2CC2)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.65
KMT2A Q03164 7/20 0.65
KDM4E B2RXH2 3/20 0.65
GAA P10253 2/20 0.65
HTT P42858 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
ALDH1A1 P00352 4/20 0.55
POLB P06746 2/20 0.48
MAPT P10636 1/20 0.47
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
TSHR P16473 2/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
CHEK1 O14757 1/20 0.39
LMNA P02545 1/20 0.39
ALOX12 P18054 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL4630869 0.79 MEN1 (0.62) MEN1KMT2AKDM4EGAAHTT
SCHEMBL29114695 0.74 TSHR (0.66) MEN1KMT2AKDM4EGAAHTT
SCHEMBL2471248 0.74 KDM1A (0.59) MEN1KMT2AKDM4EGAAHTT
SCHEMBL5798027 0.74 KDM4E (0.56) MEN1KMT2AKDM4EGAAHTT
SCHEMBL23124616 0.73 KDM4E (0.57) MEN1KMT2AKDM4EGAAHTT
Hydrochloric Acid SCHEMBL31580079 0.73 TSHR (0.64) MEN1KMT2AKDM4EGAAHTT
SCHEMBL14036538 0.72 KDM1A (0.57) MEN1KMT2AKDM4EGAAHTT
SCHEMBL695065 0.71 MEN1 (0.68) MEN1KMT2AGAAALDH1A1POLB
SCHEMBL696258 0.71 BCHE (0.68) MEN1KMT2AKDM4EGAAHTT
SCHEMBL16767556 0.71 MEN1 (0.56) MEN1KMT2AKDM4EGAAHTT

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
WO-2008137102-A2 METHODS OF MODULATING AMYLOID BETA AND COMPOUNDS USEFUL THEREFOR TORREYPINES THERAPEUTICS, INC. (US) 2008-11-13 WO disclosed