SCHEMBL29951806

SCHEMBL29951806

CCNC(=O)CN(CC)c1cccc(Cl)c1C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
NPSR1 Q6W5P4 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 2/20 0.35
HPGD P15428 3/20 0.35
GLA P06280 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.34
RAB9A P51151 1/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 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
SCHEMBL29954704 0.88 KMT2A (0.42) KMT2AMEN1ALDH1A1TDP1NPSR1
SCHEMBL29950794 0.87 KMT2A (0.41) KMT2AMEN1ALDH1A1TDP1NPSR1
SCHEMBL29951982 0.85 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1TDP1NPSR1
SCHEMBL29952279 0.78 ALDH3A1 (0.41) KMT2AMEN1ALDH1A1TDP1NPSR1
SCHEMBL29951452 0.78 RAB9A (0.35) KMT2AMEN1ALDH1A1TDP1SMN1; SMN2
SCHEMBL29956724 0.77 NPSR1 (0.41) KMT2AMEN1ALDH1A1TDP1NPSR1
SCHEMBL29951041 0.75 KMT2A (0.48) KMT2AMEN1ALDH1A1TDP1NPSR1
SCHEMBL29955618 0.73 KMT2A (0.43) KMT2AMEN1ALDH1A1TDP1NPSR1
SCHEMBL2561844 0.72 TSHR (0.53) KMT2AMEN1ALDH1A1NPSR1SMN1; SMN2
SCHEMBL29951697 0.72 ALDH1A3 (0.48) ALDH1A1SMN1; SMN2HPGDTSHR

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