SCHEMBL11023237

SCHEMBL11023237

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.45
HSD17B10 Q99714 4/20 0.45
ALDH1A1 P00352 9/20 0.43
HPGD P15428 6/20 0.43
GAA P10253 2/20 0.43
GALR3 O60755 1/20 0.43
MAPT P10636 8/20 0.42
KMT2A Q03164 6/20 0.42
MEN1 O00255 4/20 0.42
RXFP1 Q9HBX9 2/20 0.42
POLB P06746 2/20 0.41
LMNA P02545 3/20 0.41
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
PDE5A O76074 1/20 0.41
TSHR P16473 1/20 0.41
PTGS1 P23219 1/20 0.41
PDE4A P27815 1/20 0.41
CYP2C19 P33261 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL11016822 0.84 PDE3B (0.45) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL9478348 0.82 ALDH1A1 (0.49) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL11022101 0.82 KDM4E (0.50) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL11019851 0.82 ALDH1A1 (0.46) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL11019552 0.82 PDE3B (0.47) KDM4EHSD17B10ALDH1A1HPGDMAPT
SCHEMBL10853277 0.81 KDM4E (0.46) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL11017408 0.81 KDM4E (0.46) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL11020795 0.81 ALDH1A1 (0.43) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL4739455 0.81 KDM4E (0.56) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL11023628 0.80 KDM4E (0.44) KDM4EHSD17B10ALDH1A1HPGDGAA

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