SCHEMBL11025958

SCHEMBL11025958

CCOC(=O)C(C)C(=O)c1cc(C#N)c(=O)[nH]c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
KMT2A Q03164 6/20 0.51
MAPT P10636 6/20 0.51
MEN1 O00255 4/20 0.51
RXFP1 Q9HBX9 1/20 0.51
LMNA P02545 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 10/20 0.45
POLB P06746 4/20 0.44
HPGD P15428 4/20 0.44
GLA P06280 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 4/20 0.43
NPC1 O15118 1/20 0.43
GALR3 O60755 1/20 0.40
HSD17B10 Q99714 3/20 0.40
PDE5A O76074 1/20 0.39
TSHR P16473 1/20 0.39
PTGS1 P23219 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
SCHEMBL11023105 0.86 ALDH1A1 (0.50) ALDH1A1KMT2AMAPTMEN1RXFP1
SCHEMBL11018951 0.85 ALDH1A1 (0.48) ALDH1A1KMT2AMAPTMEN1RXFP1
SCHEMBL3227136 0.82 MAPT (0.72) ALDH1A1KMT2AMAPTMEN1RXFP1
SCHEMBL9475931 0.82 KDM4E (0.47) ALDH1A1KMT2AMAPTMEN1RXFP1
SCHEMBL11023795 0.81 KDM4E (0.46) ALDH1A1KMT2AMAPTMEN1RXFP1
SCHEMBL11020327 0.80 ALDH1A1 (0.45) ALDH1A1KMT2AMAPTMEN1RXFP1
SCHEMBL11023139 0.80 ALDH1A1 (0.45) ALDH1A1KMT2AMAPTMEN1RXFP1
SCHEMBL10858013 0.80 KDM4E (0.44) ALDH1A1KMT2AMAPTMEN1RXFP1
SCHEMBL11024081 0.80 KDM4E (0.44) ALDH1A1KMT2AMAPTMEN1RXFP1
SCHEMBL9673214 0.78 ALDH1A1 (0.55) ALDH1A1KMT2AMAPTMEN1RXFP1

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