SCHEMBL29953076

SCHEMBL29953076

Cc1ncc(C=O)c(C)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 3/20 0.36
THRB P10828 1/20 0.36
BLM P54132 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 5/20 0.34
TSHR P16473 1/20 0.34
ERN1 O75460 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
NTRK1 P04629 1/20 0.33
KDM4E B2RXH2 3/20 0.32
HPGD P15428 1/20 0.32
AOX1 Q06278 1/20 0.32
KCNJ1 P48048 1/20 0.32
TRIM24 O15164 2/20 0.32
TRIM33 Q9UPN9 2/20 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
SCHEMBL13348654 0.82 MEN1 (0.33) MEN1KMT2ALMNATHRBBLM
SCHEMBL29954024 0.80 CYP1A2 (0.46) MEN1KMT2ALMNATHRBBLM
SCHEMBL27605350 0.80 MEN1 (0.32) MEN1KMT2ALMNATHRBBLM
SCHEMBL8626075 0.80 LMNA (0.43) MEN1KMT2ALMNATHRBBLM
SCHEMBL5674156 0.80 CYP1A2 (0.46) MEN1KMT2ALMNATHRBBLM
SCHEMBL15624861 0.79 MEN1 (0.31) MEN1KMT2ALMNATHRBBLM
Hydrochloric Acid SCHEMBL10954513 0.79 LMNA (0.42) MEN1KMT2ALMNATHRBBLM
SCHEMBL5677080 0.77 JUN (0.42) MEN1KMT2ALMNATDP1ALDH1A1
SCHEMBL13745201 0.77 ALDH1A1 (0.32) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL13061190 0.77 ALDH1A1 (0.32) MEN1KMT2ALMNAALDH1A1TSHR

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