SCHEMBL23957884

SCHEMBL23957884

CCN(CC)c1ccc2c(c1)O/C(=C(/N)C#N)C=C2COC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.35
MEN1 O00255 10/20 0.35
MAPT P10636 8/20 0.35
ALDH1A1 P00352 5/20 0.35
POLB P06746 2/20 0.35
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HPGD P15428 3/20 0.34
ATM Q13315 2/20 0.34
GAA P10253 3/20 0.33
MAOB P27338 3/20 0.32
USP2 O75604 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
NPSR1 Q6W5P4 2/20 0.31
MAPK1 P28482 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPC1 O15118 3/20 0.31

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
SCHEMBL23957878 0.90 CA12 (0.35) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL23915960 0.80 CA12 (0.38) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL23957861 0.80 MEN1 (0.36) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL23957887 0.78 CA12 (0.37) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL25140741 0.76 CA12 (0.33) CA12CA9
SCHEMBL23957858 0.73 MEN1 (0.33) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL25140731 0.70 CA12 (0.31) CA12CA9
SCHEMBL12205735 0.70 MAPK1 (0.43) KMT2AMEN1MAPTALDH1A1CA12
SCHEMBL12205733 0.68 MEN1 (0.36) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL12168662 0.66 MAOB (0.36) KMT2AMEN1MAPTALDH1A1POLB

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
WO-2021213089-A1 A CONTROLLED DRUG RELEASE SYSTEM OF PHOTORESPONSIVE NANOCARRIERS, METHODS OF MAKING AND USING THEREOF THE UNIVERSITY OF HONG KONG (CN) 2021-10-28 WO disclosed