SCHEMBL29954830

SCHEMBL29954830

CCCc1ccc2c(c1)C(C=O)C(=O)N2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
TP53 P04637 2/20 0.38
LMNA P02545 1/20 0.38
ADAMTS5 Q9UNA0 2/20 0.36
GPR84 Q9NQS5 1/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PGR P06401 1/20 0.34
KIF11 P52732 1/20 0.34
MMP12 P39900 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
GSK3B P49841 1/20 0.32
CCKAR P32238 1/20 0.32
CCKBR P32239 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL29956445 0.88 SMN1; SMN2 (0.40) MAPTTP53LMNAADAMTS5KDM4E
SCHEMBL29952427 0.76 EPHX2 (0.40) MAPTKDM4EGAAPGRMEN1
SCHEMBL29952126 0.75 MAOB (0.43) MAPTTP53LMNAKDM4EMEN1
SCHEMBL29954649 0.73 TP53 (0.46) MAPTTP53LMNAALDH1A1
SCHEMBL1314441 0.73 HTR7 (0.40) MAPTKMT2A
SCHEMBL29953205 0.73 PGR (0.43) MAPTTP53LMNAPGRMEN1
SCHEMBL29951858 0.73 MAOA (0.48) MAPTTP53LMNAGAAL3MBTL1
SCHEMBL29055652 0.69 ESR1 (0.41) MAPTTP53LMNAKDM4EALDH1A1
SCHEMBL1101964 0.69 IDO1 (0.47) MAPTTP53KDM4EGAAL3MBTL1
SCHEMBL29951005 0.69 IDO1 (0.47) MAPTTP53KDM4EGAAL3MBTL1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed