SCHEMBL3847258

SCHEMBL3847258

CC(CC(=O)Nc1ccccc1)(C(N)=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
HPGD P15428 3/20 0.56
GAA P10253 2/20 0.56
RAB9A P51151 1/20 0.56
KDM1A O60341 1/20 0.49
KMT2A Q03164 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
KCNH2 Q12809 1/20 0.46
SCN1A P35498 1/20 0.45
SCN2A Q99250 1/20 0.45
SCN3A Q9NY46 1/20 0.45
EPHX2 P34913 1/20 0.45
MEN1 O00255 2/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL29275459 0.82 MAPT (0.61) MAPTHPGDGAARAB9AKDM1A
SCHEMBL7385247 0.80 MAPT (0.57) MAPTKMT2ACYP3A4KCNH2
SCHEMBL4110940 0.78 MAPT (0.86) MAPTHPGDGAARAB9AKMT2A
SCHEMBL28049259 0.75 MAPT (0.65) MAPTHPGDGAARAB9AKMT2A
SCHEMBL20734732 0.75 MAPT (0.65) MAPTHPGDGAARAB9AKMT2A
SCHEMBL20734734 0.75 MAPT (0.65) MAPTHPGDGAARAB9AKMT2A
SCHEMBL2030597 0.74 MAPT (0.59) MAPTKMT2ACYP3A4KCNH2
SCHEMBL1024478 0.74 MAPT (0.59) MAPTKMT2ACYP3A4KCNH2
SCHEMBL27815326 0.74 MAPT (0.59) MAPTKMT2ACYP3A4KCNH2
SCHEMBL15397577 0.74 MAPT (0.59) MAPTKMT2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099815-A2 NOVEL AMIDES ACTING ON THE ADENOSINE RECEPTORS Acure Pharma AB (SE) 2009-09-16 EP disclosed
WO-2008058679-A2 NOVEL AMIDES ACTING ON THE ADENOSINE RECEPTORS ACURE PHARMA AB (SE) 2008-05-22 WO disclosed