SCHEMBL14036690

SCHEMBL14036690

COc1cc(C)c(CNC2CN(C)C2)cc1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
POLB P06746 2/20 0.43
GFER P55789 1/20 0.43
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
ALDH1A1 P00352 6/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 4/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TLR7 Q9NYK1 2/20 0.36
TLR8 Q9NR97 1/20 0.36
GLA P06280 1/20 0.35
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL14036621 0.87 MEN1 (0.49) GAAPOLBGFERKDM1AMAOA
SCHEMBL14036774 0.78 GAA (0.51) GAAPOLBGFERKDM1AMAOA
SCHEMBL5013641 0.76 POLB (0.43) GAAPOLBGFERKDM1AMAOA
SCHEMBL10145745 0.75 NPBWR1 (0.42) GAAALDH1A1MEN1KMT2AKDM4E
SCHEMBL14036535 0.74 MEN1 (0.45) GAAPOLBGFERALDH1A1MEN1
SCHEMBL12425507 0.73 POLB (0.56) GAAPOLBGFERALDH1A1MEN1
SCHEMBL14036538 0.72 KDM1A (0.57) GAAPOLBKDM1AMAOAMAOB
SCHEMBL14036780 0.72 KDM4E (0.36) GAAKDM1AMAOAMAOBALDH1A1
SCHEMBL5014668 0.71 POLB (0.59) GAAPOLBGFERALDH1A1MEN1
SCHEMBL14036803 0.70 GAA (0.43) GAAPOLBGFERALDH1A1MEN1

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