SCHEMBL28683146

SCHEMBL28683146

O=C1N=C(c2cccs2)CO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 2/20 0.38
KDM4E B2RXH2 5/20 0.38
MEN1 O00255 4/20 0.38
MAPT P10636 4/20 0.38
KMT2A Q03164 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
POLB P06746 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
F2 P00734 1/20 0.36
PBRM1 Q86U86 1/20 0.36
NISCH Q9Y2I1 1/20 0.35
LTK P29376 1/20 0.35
CDK5 Q00535 1/20 0.35
MST1R Q04912 1/20 0.35
DYRK1A Q13627 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
GALR1 P47211 1/20 0.35

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
SCHEMBL31553378 0.75 PDE3B (0.44) ALDH1A1SMN1; SMN2PBRM1PDE3BPDE3A
SCHEMBL8082831 0.71 KDM4E (0.44) RPS6KB2KDM4EMEN1MAPTKMT2A
SCHEMBL8828114 0.71
SCHEMBL7765362 0.69 MAPT (0.56) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL4731535 0.69 ALDH1A1 (0.37) RPS6KB2KDM4EMEN1MAPTKMT2A
SCHEMBL11710676 0.68 NOTUM (0.46) RPS6KB2KDM4EMEN1MAPTKMT2A
SCHEMBL22246046 0.66 KMT2A (0.44) RPS6KB2KDM4EMEN1MAPTKMT2A
SCHEMBL20522794 0.64 AXL (0.53) KDM4EMEN1MAPTKMT2AL3MBTL1
SCHEMBL22246023 0.64 PRKDC (0.35) RPS6KB2KDM4EMEN1MAPTKMT2A
SCHEMBL1549500 0.64 MEN1 (0.50) KDM4EMEN1MAPTKMT2AL3MBTL1

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
CN-113999131-B Method for preparing amide derivative by amination of alkyl C-H bond under catalysis of nickel promoted by visible light 苏州大学 2022-06-28 CN disclosed
CN-113999131-A Method for preparing amide derivative by amination of alkyl C-H bond under catalysis of nickel promoted by visible light 苏州大学 2022-02-01 CN disclosed