SCHEMBL21759804

SCHEMBL21759804

CCn1c(=O)n(-c2ccc(Oc3nc4cccnc4n3C)cc2)c2c1c(C)cc[n+]2O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 7/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
PABPC1 P11940 1/20 0.36
TP53 P04637 1/20 0.35
LMNA P02545 2/20 0.35
NCOA3 Q9Y6Q9 2/20 0.35
HTT P42858 1/20 0.35
NCOA1 Q15788 1/20 0.35
PDE4B Q07343 1/20 0.34
TSHR P16473 1/20 0.33
ALOX15 P16050 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL9981415 0.91 PDE10A (0.37) PDE10AMEN1KMT2APOLBPABPC1
SCHEMBL1699296 0.85 PDE10A (0.41) PDE10AMEN1KMT2APOLBPABPC1
Water SCHEMBL15643684 0.84 PDE10A (0.41) PDE10AMEN1KMT2APOLBPABPC1
SCHEMBL1702837 0.79 NCOA3 (0.37) PDE10AMEN1KMT2APOLBPABPC1
SCHEMBL9980990 0.79 PDE10A (0.44) PDE10AMEN1KMT2APOLBPABPC1
SCHEMBL9982053 0.78 PDE10A (0.41) PDE10AMEN1KMT2APOLBPABPC1
SCHEMBL1702361 0.77 BRAF (0.39) PDE10AMEN1KMT2APOLBPABPC1
SCHEMBL9980859 0.77 PDE10A (0.46) PDE10AMEN1KMT2APOLBPABPC1
SCHEMBL1699325 0.76 PDE10A (0.42) PDE10AMEN1KMT2APOLBPABPC1
SCHEMBL7703884 0.76 LMNA (0.36) PDE10AMEN1KMT2APOLBPABPC1

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-2585462-B1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS TAKEDA PHARMACEUTICALS CO (JP) 2020-02-26 EP disclosed