SCHEMBL23766313

SCHEMBL23766313

O=C1CCCCCc2ccccc2NC(=O)CNC(=O)CN1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.67
NPC1 O15118 1/20 0.56
MAPK13 O15264 1/20 0.56
MAPK12 P53778 1/20 0.56
MAPK11 Q15759 1/20 0.56
MAPK14 Q16539 1/20 0.56
AHR P35869 1/20 0.49
PDK2 Q15119 1/20 0.49
BRD4 O60885 2/20 0.41
CREBBP Q92793 2/20 0.41
TSHR P16473 1/20 0.38
CYP2A6 P11509 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 1/20 0.37
HTR5A P47898 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL7439873 0.86 MAPT (0.89) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL2138422 0.84 MAPT (0.92) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL518954 0.81 MAPT (1.00) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL15756724 0.81 MAPT (0.50) MAPTNPC1MAPK13MAPK12MAPK11
Diketopiperazine SCHEMBL29279043 0.77 MAPT (0.53) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL22044245 0.76 MAPT (0.63) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL21120273 0.76 MAPT (0.89) MAPTNPC1MAPK13MAPK12MAPK11
Hydantoin SCHEMBL5442026 0.74 TSHR (0.50) MAPTNPC1MAPK13MAPK12MAPK11
Sulfuric Acid SCHEMBL6194221 0.73 MAPT (0.83) MAPTNPC1MAPK13MAPK12MAPK11
Oxalic Acid SCHEMBL8173155 0.73 MAPT (0.83) MAPTNPC1MAPK13MAPK12MAPK11

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
EP-2925771-B1 A PROCESS FOR THE PREPARATION OF SOLOMONAMIDE ANALOGUES COUNCIL SCIENT IND RES (IN) 2021-08-18 EP disclosed