SCHEMBL29953512

SCHEMBL29953512

O=Cc1cccc2c1CCOC2

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KCNJ1 P48048 1/20 0.36
ERN1 O75460 3/20 0.33
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
TRIM24 O15164 1/20 0.31
TRIM33 Q9UPN9 1/20 0.31
PARP1 P09874 1/20 0.31
IKBKB O14920 1/20 0.30
CYP2A6 P11509 1/20 0.30

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
SCHEMBL29936184 1.00 MEN1 (0.37) MEN1LMNATHRBBLMKMT2A
SCHEMBL29935609 0.86 MEN1 (0.37) MEN1LMNATHRBBLMKMT2A
SCHEMBL23536007 0.83 MEN1 (0.41) MEN1LMNATHRBBLMKMT2A
SCHEMBL29666971 0.83 MEN1 (0.41) MEN1LMNATHRBBLMKMT2A
SCHEMBL30777455 0.73 BCL2L1 (0.45) MEN1LMNATHRBBLMKMT2A
SCHEMBL1044992 0.73 BCL2L1 (0.50) MEN1LMNATHRBBLMKMT2A
SCHEMBL1616679 0.73 BCL2L1 (0.45) MEN1LMNATHRBBLMKMT2A
SCHEMBL25299513 0.72 ERN1 (0.40) TDP1ERN1
SCHEMBL19835774 0.72 ADRA2A (0.47)
SCHEMBL19249411 0.72 BCL2L1 (0.48) MEN1LMNATHRBBLMKMT2A

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