SCHEMBL29952257

SCHEMBL29952257

CC(C)N(CC(N)=O)c1cccc(Cl)c1C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
RORC P51449 2/20 0.37
CYP1A2 P05177 4/20 0.36
LMNA P02545 3/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2C19 P33261 3/20 0.36
CYP2D6 P10635 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAPT P10636 2/20 0.36
CYP2C9 P11712 2/20 0.36
GLA P06280 1/20 0.36
TSHR P16473 2/20 0.36
BLM P54132 1/20 0.36
HIF1A Q16665 1/20 0.36
POLB P06746 1/20 0.35
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL29955447 0.82 KMT2A (0.46) KMT2AALDH1A1MEN1TDP1CYP1A2
SCHEMBL2559520 0.82 RORC (0.41) KMT2AALDH1A1MEN1TDP1RORC
SCHEMBL29951041 0.81 KMT2A (0.48) KMT2AALDH1A1MEN1TDP1CYP1A2
SCHEMBL15332332 0.77 POLB (0.36) KMT2AALDH1A1MEN1TDP1RORC
SCHEMBL29957441 0.75 ALDH1A1 (0.39) KMT2AALDH1A1MEN1TDP1CYP1A2
SCHEMBL29951670 0.74 MEN1 (0.40) KMT2AALDH1A1MEN1TDP1LMNA
SCHEMBL29952523 0.71 ALDH1A1 (0.44) KMT2AALDH1A1MEN1TDP1CYP1A2
SCHEMBL29951982 0.70 ALDH1A1 (0.43) KMT2AALDH1A1MEN1TDP1CYP1A2
SCHEMBL2560571 0.69 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL2556059 0.69 ERN1 (0.35) ALDH1A1MAPT

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