SCHEMBL11021829

SCHEMBL11021829

Cc1[nH]c(=O)c(C#N)cc1C(=O)COC(=O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
MAPT P10636 7/20 0.43
KMT2A Q03164 6/20 0.43
MEN1 O00255 4/20 0.43
RXFP1 Q9HBX9 2/20 0.43
KDM4E B2RXH2 11/20 0.39
HPGD P15428 4/20 0.39
GAA P10253 3/20 0.39
GALR3 O60755 1/20 0.39
LMNA P02545 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 3/20 0.38
HSD17B10 Q99714 2/20 0.38
NPSR1 Q6W5P4 1/20 0.37
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
PDE5A O76074 1/20 0.37
TSHR P16473 1/20 0.37
PTGS1 P23219 1/20 0.37
PDE4A P27815 1/20 0.37

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
SCHEMBL11019337 0.85 ALDH1A1 (0.47) ALDH1A1MAPTKMT2AMEN1RXFP1
SCHEMBL11024452 0.82 KMT2A (0.48) ALDH1A1MAPTKMT2AMEN1RXFP1
SCHEMBL11019851 0.82 ALDH1A1 (0.46) ALDH1A1MAPTKMT2AMEN1RXFP1
SCHEMBL11020201 0.80 ALDH1A1 (0.50) ALDH1A1MAPTKMT2AMEN1RXFP1
SCHEMBL11024729 0.79 ALDH1A1 (0.43) ALDH1A1MAPTKMT2AMEN1RXFP1
SCHEMBL11020795 0.79 ALDH1A1 (0.43) ALDH1A1MAPTKMT2AMEN1RXFP1
SCHEMBL11021295 0.78 ALDH1A1 (0.45) ALDH1A1MAPTKMT2AMEN1RXFP1
SCHEMBL9478348 0.77 ALDH1A1 (0.49) ALDH1A1MAPTKMT2AMEN1RXFP1
SCHEMBL11022101 0.77 KDM4E (0.50) ALDH1A1MAPTKMT2AMEN1RXFP1
SCHEMBL10853277 0.76 KDM4E (0.46) ALDH1A1MAPTKMT2AMEN1RXFP1

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-0154190-A1 Pyridones MERCK PATENT GmbH (DE) 1985-09-11 EP disclosed