SCHEMBL3317586

SCHEMBL3317586

C=C(C)C(=O)OCCN(CC)c1ccc(N=Nc2ccc(C(=O)C(F)(F)F)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 10/20 0.41
ACHE P22303 3/20 0.36
MAPT P10636 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
POLB P06746 2/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 2/20 0.34
PSMD14 O00487 1/20 0.34
MITF O75030 1/20 0.34
CES2 O00748 2/20 0.33
CES1 P23141 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MCL1 Q07820 1/20 0.33
NOX1 Q9Y5S8 1/20 0.33

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
SCHEMBL21351670 0.92 POLB (0.42) MLYCDACHEMAPTNPC1RAB9A
SCHEMBL16432869 0.92 POLB (0.42) MLYCDACHEMAPTNPC1RAB9A
SCHEMBL20999602 0.84 MAPT (0.40) ACHEMAPTNPC1RAB9AKDM4E
SCHEMBL2605872 0.84 MAPT (0.37) MAPTNPC1RAB9AKDM4EMAPK1
SCHEMBL15357901 0.84 RAB9A (0.41) MAPTNPC1RAB9AKDM4EMAPK1
SCHEMBL18556273 0.84 MAPT (0.40) ACHEMAPTNPC1RAB9AKDM4E
SCHEMBL16544008 0.80 POLB (0.43) MAPTPOLBAPEX1HTTTDP1
SCHEMBL16432867 0.80 MLYCD (0.41) MLYCDMAPTNPC1RAB9AKDM4E
SCHEMBL2602717 0.80 MMP14 (0.47) MAPTNPC1RAB9AKDM4EMAPK1
SCHEMBL6932967 0.80 MMP14 (0.47) MAPTNPC1RAB9AKDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220259593-A1 CONTROL OF MAMMALIAN GENE DOSAGE USING CRISPR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-08-18 US disclosed
US-20100105076-A1 ANALYSIS KIT COMPRISING AT LEAST TWO MOLECULARLY IMPRINTED POLYMERS AND AT LEAST ONE MARKER, AND METHOD OF ANALYSIS USING SAME POLYINTELL (FR) 2010-04-29 US disclosed
EP-2125195-A2 ANALYSIS KIT COMPRISING AT LEAST TWO MOLECULARLY IMPRINTED POLYMERS AND AT LEAST ONE MARKER, AND METHOD OF ANALYSIS USING SAME Polyintell (FR) 2009-12-02 EP disclosed
WO-2008132384-A2 ANALYSIS KIT COMPRISING AT LEAST TWO MOLECULARLY IMPRINTED POLYMERS AND AT LEAST ONE MARKER, AND METHOD OF ANALYSIS USING SAME POLYINTELL (FR) 2008-11-06 WO disclosed