SCHEMBL29954704

SCHEMBL29954704

CCN(CC(=O)NC)c1cccc(Cl)c1C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.42
MEN1 O00255 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 2/20 0.36
TP53 P04637 1/20 0.36
HSD17B10 Q99714 1/20 0.35
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
TSHR P16473 1/20 0.34
GLA P06280 1/20 0.34
CYP2D6 P10635 1/20 0.34
POLB P06746 2/20 0.34

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
SCHEMBL29952279 0.90 ALDH3A1 (0.41) KMT2AMEN1TDP1ALDH1A1SMN1; SMN2
SCHEMBL29951806 0.88 KMT2A (0.41) KMT2AMEN1TDP1ALDH1A1SMN1; SMN2
SCHEMBL29951982 0.86 ALDH1A1 (0.43) KMT2AMEN1TDP1ALDH1A1SMN1; SMN2
SCHEMBL29955618 0.85 KMT2A (0.43) KMT2AMEN1TDP1ALDH1A1SMN1; SMN2
SCHEMBL29950833 0.77 OPRM1 (0.37) KMT2AMEN1TDP1ALDH1A1SMN1; SMN2
SCHEMBL29951041 0.76 KMT2A (0.48) KMT2AMEN1TDP1ALDH1A1SMN1; SMN2
SCHEMBL24833805 0.75 LMNA (0.45) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL29950794 0.75 KMT2A (0.41) KMT2AMEN1TDP1ALDH1A1SMN1; SMN2
SCHEMBL29957441 0.73 ALDH1A1 (0.39) KMT2AMEN1TDP1ALDH1A1TP53
SCHEMBL29954099 0.71 ALDH1A3 (0.49) ALDH1A1SMN1; SMN2MAPTGAAKDM4E

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