SCHEMBL11021914

SCHEMBL11021914

Cc1[nH]c(=O)c(C#N)cc1-c1cn2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 3/20 0.56
PDE4A P27815 2/20 0.56
HPGD P15428 5/20 0.55
BLM P54132 2/20 0.55
HSD17B10 Q99714 2/20 0.55
CYP3A4 P08684 1/20 0.55
NFKB1 P19838 1/20 0.55
PMP22 Q01453 1/20 0.55
KDM4E B2RXH2 12/20 0.54
ALDH1A1 P00352 7/20 0.54
GAA P10253 2/20 0.54
GALR3 O60755 1/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
RXFP1 Q9HBX9 1/20 0.52
PDE3B Q13370 2/20 0.49
LMNA P02545 2/20 0.49
TSHR P16473 2/20 0.49
PDE5A O76074 1/20 0.49
PTGS1 P23219 1/20 0.49

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
SCHEMBL10513250 0.80 PDE3A (0.64) PDE3APDE4AHPGDBLMHSD17B10
SCHEMBL8195782 0.78 RAB9A (0.50) HPGDHSD17B10NFKB1KDM4EALDH1A1
SCHEMBL11019680 0.78 KDM4E (0.46) PDE3APDE4AHPGDBLMHSD17B10
SCHEMBL7272616 0.74 KDM4E (0.63) PDE3APDE4AHPGDBLMHSD17B10
SCHEMBL11018169 0.74 KDM4E (0.57) PDE3APDE4AHPGDBLMHSD17B10
SCHEMBL9460929 0.73 PDE3A (0.70) PDE3APDE4AHPGDBLMHSD17B10
SCHEMBL11232009 0.72 KDM4E (0.61) PDE3APDE4AHPGDBLMHSD17B10
Olprinone SCHEMBL19205852 0.72 PDE3A (1.00) PDE3APDE4AHPGDBLMHSD17B10
Olprinone SCHEMBL27661 0.72 PDE3A (1.00) PDE3APDE4AHPGDBLMHSD17B10
SCHEMBL11024615 0.71 KMT2A (0.83) PDE3APDE4AHPGDBLMHSD17B10

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