SCHEMBL4068434

SCHEMBL4068434

NC(=O)C1Cc2ccccc2N(CC(=O)NC2CCOCC2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
SCN9A Q15858 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
ACE P12821 1/20 0.38
LMNA P02545 1/20 0.38
NPY5R Q15761 1/20 0.38

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
SCHEMBL4068439 0.87 AADAT (0.46) TSHRL3MBTL1ALDH1A1GAASMN1; SMN2
SCHEMBL4250746 0.79 MEN1 (0.53) TSHRALDH1A1GAASMN1; SMN2MEN1
SCHEMBL4067884 0.78 PYGL (0.50) TSHRL3MBTL1ALDH1A1GAASMN1; SMN2
SCHEMBL4066125 0.74 LMNA (0.42) TSHRL3MBTL1ALDH1A1GAASMN1; SMN2
SCHEMBL4073186 0.74 KDM4E (0.60) TSHRALDH1A1GAASMN1; SMN2KMT2A
SCHEMBL4064789 0.74 POLB (0.47) TSHRL3MBTL1ALDH1A1POLBACE
SCHEMBL4065818 0.74 KDM4E (0.53) TSHRL3MBTL1ALDH1A1GAASMN1; SMN2
SCHEMBL4064970 0.73 PYGL (0.44) TSHRALDH1A1MEN1KMT2ALMNA
SCHEMBL4075144 0.73 CHRM2 (0.51) TSHRALDH1A1MEN1KMT2APOLB
SCHEMBL4075040 0.73 CHRM2 (0.54) TSHRALDH1A1MEN1KMT2APOLB

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