SCHEMBL14036621

SCHEMBL14036621

COc1cc(C)c(CNC2CC2)cc1C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
KDM4E B2RXH2 4/20 0.49
GAA P10253 3/20 0.49
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
POLB P06746 3/20 0.46
GFER P55789 1/20 0.46
ALDH1A1 P00352 5/20 0.45
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
MAPT P10636 3/20 0.41
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.38
GLA P06280 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL14036690 0.87 GAA (0.43) MEN1KMT2AKDM4EGAAHTT
SCHEMBL10145745 0.87 NPBWR1 (0.42) MEN1KMT2AKDM4EGAAHTT
SCHEMBL14036538 0.84 KDM1A (0.57) MEN1KMT2AKDM4EGAAHTT
SCHEMBL14036780 0.83 KDM4E (0.36) MEN1KMT2AKDM4EGAAHTT
SCHEMBL5013641 0.82 POLB (0.43) MEN1KMT2AKDM4EGAAPOLB
SCHEMBL14036774 0.81 GAA (0.51) MEN1KMT2AKDM4EGAAPOLB
SCHEMBL13184317 0.77 MEN1 (0.47) MEN1KMT2AKDM4EGAAHTT
SCHEMBL12425507 0.76 POLB (0.56) MEN1KMT2AKDM4EGAAPOLB
SCHEMBL16200315 0.75 KMT2A (0.58) MEN1KMT2AKDM4EGAAHTT
SCHEMBL13132346 0.75 MEN1 (0.51) 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