SCHEMBL29951554

SCHEMBL29951554

OB(O)c1c[nH]c2ccc(-c3ccccc3)nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 2/20 0.39
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
RAB9A P51151 1/20 0.37
PARP1 P09874 1/20 0.37
CLK2 P49760 2/20 0.35
HIPK1 Q86Z02 2/20 0.35
HIPK2 Q9H2X6 2/20 0.35
HIPK3 Q9H422 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
DYRK2 Q92630 1/20 0.35
CLK1 P49759 1/20 0.34
DYRK1A Q13627 1/20 0.33
TDO2 P48775 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAP2K3 P46734 1/20 0.33
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
MAPK1 P28482 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
SCHEMBL29953859 0.71 PSMD14 (0.44) PARP1KDM4E
SCHEMBL29953852 0.71 AXL (0.43) MAP4K1PARP1CLK4KDM4EPIM1
SCHEMBL29951236 0.68 MEN1 (0.43) ALDH1A1MEN1KMT2ARAB9ATDO2
SCHEMBL29953398 0.68 MEN1 (0.43) ALDH1A1MEN1KMT2ARAB9APARP1
SCHEMBL31626386 0.67 PARP1 (0.47) ALDH1A1MEN1KMT2ARAB9APARP1
SCHEMBL21309091 0.67 MGLL (0.58) ALDH1A1MEN1KMT2ARAB9APARP1
SCHEMBL31626694 0.67 MGLL (0.58) ALDH1A1MEN1KMT2ARAB9APARP1
SCHEMBL23535594 0.66 KDM4E (0.49) ALDH1A1MEN1KMT2ARAB9AKDM4E
SCHEMBL29954734 0.66 SQOR (0.50) ALDH1A1MEN1KMT2ARAB9ATDO2
SCHEMBL1753930 0.65 MEN1 (0.59) ALDH1A1MEN1KMT2ARAB9APARP1

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