SCHEMBL11270620

SCHEMBL11270620

CN(CC(=O)O)C(=O)Nc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.59
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
NPY5R Q15761 1/20 0.50
ATM Q13315 1/20 0.49
NAPRT Q6XQN6 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ABAT P80404 1/20 0.47
TP53 P04637 1/20 0.47
EPHX1 P07099 1/20 0.47
TSHR P16473 1/20 0.47
EPHX2 P34913 1/20 0.47
CDK9 P50750 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA12 O43570 1/20 0.46

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
SCHEMBL11279243 0.84 MEN1 (0.47) MTORMEN1KMT2AALDH1A1NPY5R
SCHEMBL8702672 0.83 MEN1 (0.64) MTORMEN1KMT2AALDH1A1NPSR1
SCHEMBL29951487 0.83 MAPT (0.51) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL29955344 0.82 KMT2A (0.56) MEN1KMT2AALDH1A1TP53TSHR
SCHEMBL17342609 0.81 MTOR (0.59) MTORMEN1KMT2AALDH1A1NPSR1
SCHEMBL22559979 0.81 MTOR (0.59) MTORMEN1KMT2AALDH1A1NPSR1
SCHEMBL3483118 0.81 MTOR (0.59) MTORMEN1KMT2AALDH1A1NPSR1
SCHEMBL13952224 0.80 MTOR (0.58) MTORMEN1KMT2AALDH1A1NPSR1
SCHEMBL5808443 0.80 MTOR (0.82) MTORKMT2AALDH1A1NPSR1NPY5R
SCHEMBL10090421 0.80 MTOR (0.58) MTORMEN1KMT2AALDH1A1NPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4345935-A PREEMERGENT AND POSTEMERGENT APPLICATION ELI LILLY AND COMPANY (US) 1982-08-24 US disclosed
US-4345936-A Imidazoles, compositions and herbicidal method ELI LILLY AND COMPANY (US) 1982-08-24 US disclosed