SCHEMBL4068439

SCHEMBL4068439

NC1Cc2ccccc2N(CC(=O)NC2CCOCC2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 2/20 0.46
GOT1 P17174 1/20 0.46
KYAT1 Q16773 1/20 0.46
KYAT3 Q6YP21 1/20 0.46
TSHR P16473 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.40
SCN9A Q15858 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
PYGL P06737 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL4068434 0.87 TSHR (0.44) TSHRL3MBTL1ALDH1A1GAASMN1; SMN2
SCHEMBL4250747 0.78 SMN1; SMN2 (0.55) AADATGOT1KYAT1KYAT3TSHR
SCHEMBL4067888 0.77 PYGL (0.54) AADATGOT1KYAT1KYAT3TSHR
SCHEMBL4891481 0.77 AADAT (0.59) AADATGOT1KYAT1KYAT3PYGL
SCHEMBL4073290 0.75 AADAT (0.48) AADATGOT1KYAT1KYAT3ALDH1A1
SCHEMBL4065939 0.75 AADAT (0.54) AADATGOT1KYAT1KYAT3MEN1
SCHEMBL4064369 0.75 AADAT (0.54) AADATGOT1KYAT1KYAT3MEN1
SCHEMBL4064371 0.75 AADAT (0.54) AADATGOT1KYAT1KYAT3MEN1
Hydrochloric Acid SCHEMBL4802376 0.74 AADAT (0.52) AADATGOT1KYAT1KYAT3MEN1
Hydrochloric Acid SCHEMBL4802360 0.74 AADAT (0.52) AADATGOT1KYAT1KYAT3MEN1

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
EP-1819332-B1 PYRROLOPYRIDINE-2-CARBOXYLIC ACID AMIDES PROSIDION LTD (GB) 2009-03-11 EP disclosed