SCHEMBL6606669

SCHEMBL6606669

COc1ncc(C(C#N)=Cc2c(Cl)cccc2Cl)cc1OC1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 10/20 0.42
PDE4A P27815 7/20 0.42
PDE4B Q07343 7/20 0.42
PDE4C Q08493 7/20 0.42
SCN9A Q15858 2/20 0.38
SCN5A Q14524 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
EGFR P00533 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
PDE5A O76074 1/20 0.36
PDE1A P54750 1/20 0.36

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
SCHEMBL6606666 1.00 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CSCN9A
SCHEMBL6605361 0.91 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CSCN9A
SCHEMBL6605364 0.91 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CSCN9A
SCHEMBL6606794 0.82 KDM4E (0.57) PDE4DKDM4EALDH1A1MAPTRECQL
SCHEMBL6606790 0.82 KDM4E (0.57) PDE4DKDM4EALDH1A1MAPTRECQL
SCHEMBL6607093 0.82 SMN1; SMN2 (0.43) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL6610551 0.82 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL6607099 0.82 SMN1; SMN2 (0.43) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL6610555 0.82 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CKDM4E
SCHEMBL6607223 0.82 PDE4B (0.38) PDE4DPDE4APDE4BPDE4CKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882714-B1 SUBSTITUTED VINYLPYRIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SS PHARMACEUTICAL CO (JP) 2004-03-03 EP disclosed
US-5935977-A PHOSPHODIESTERASE IV INHIBITORS, TUMOR NECROSIS FACTOR-ALPHA PRODUCTION INHIBITORS; TREATING INFLAMMATORY AND AUTOIMMUNE DISEASES SS PHARMACEUTICAL CO., LTD. (JP) 1999-08-10 US disclosed
EP-0882714-A1 SUBSTITUTED VINYLPYRIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SS Pharmaceutical Co., Ltd. (JP) 1998-12-09 EP disclosed