SCHEMBL11023680

SCHEMBL11023680

CCc1[nH]c(=O)c(C#N)cc1C(=O)C(Br)CC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.45
PDE3A Q14432 3/20 0.45
ALDH1A1 P00352 7/20 0.38
KMT2A Q03164 6/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
RXFP1 Q9HBX9 2/20 0.38
KDM4E B2RXH2 13/20 0.37
HSD17B10 Q99714 1/20 0.37
HPGD P15428 4/20 0.36
MAPK1 P28482 1/20 0.35
GALR3 O60755 1/20 0.35
GAA P10253 1/20 0.35
POLB P06746 2/20 0.35
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 1/20 0.34
PDE5A O76074 1/20 0.34
TSHR P16473 1/20 0.34
PTGS1 P23219 1/20 0.34
PDE4A P27815 1/20 0.34

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
SCHEMBL10854258 0.90 PDE3B (0.47) PDE3BPDE3AALDH1A1KMT2AMAPT
SCHEMBL10856397 0.88 PDE3B (0.46) PDE3BPDE3AALDH1A1KMT2AMAPT
SCHEMBL11018903 0.88 KDM4E (0.41) PDE3BPDE3AALDH1A1KMT2AMAPT
SCHEMBL11020327 0.86 ALDH1A1 (0.45) PDE3BPDE3AALDH1A1KMT2AMAPT
SCHEMBL11019774 0.85 PDE3B (0.46) PDE3BPDE3AALDH1A1KMT2AMAPT
SCHEMBL11021229 0.84 PDE3B (0.45) PDE3BPDE3AALDH1A1KMT2AMAPT
SCHEMBL11023509 0.84 PDE3B (0.47) PDE3BPDE3AALDH1A1KMT2AMAPT
SCHEMBL11023172 0.83 PDE3B (0.46) PDE3BPDE3AALDH1A1KMT2AMAPT
SCHEMBL10811815 0.80 PDE3B (0.51) PDE3BPDE3AALDH1A1KMT2AMAPT
SCHEMBL10855999 0.80 PDE3B (0.48) PDE3BPDE3AALDH1A1KMT2AMAPT

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