SCHEMBL6609780

SCHEMBL6609780

COc1ncc(C(C#N)=Cc2c(Cl)cncc2Cl)cc1OCC1CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.44
PDE4D Q08499 8/20 0.44
PDE4A P27815 7/20 0.44
PDE4C Q08493 7/20 0.44
CNR2 P34972 2/20 0.38
ABCB11 O95342 1/20 0.37
IDH1 O75874 1/20 0.34
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
EGFR P00533 1/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
ABCB1 P08183 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
RORC P51449 1/20 0.32

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
SCHEMBL6609775 1.00 PDE4B (0.44) PDE4BPDE4DPDE4APDE4CCNR2
SCHEMBL8396444 0.85 RECQL (0.36) PDE4DRECQLSMN1; SMN2HIF1AEGFR
SCHEMBL8396441 0.85 RECQL (0.36) PDE4DRECQLSMN1; SMN2HIF1AEGFR
SCHEMBL6610767 0.85 RECQL (0.36) PDE4BPDE4DPDE4APDE4CRECQL
SCHEMBL6610774 0.85 RECQL (0.36) PDE4BPDE4DPDE4APDE4CRECQL
SCHEMBL6605361 0.84 PDE4D (0.43) PDE4BPDE4DPDE4APDE4CRECQL
SCHEMBL6605364 0.84 PDE4D (0.43) PDE4BPDE4DPDE4APDE4CRECQL
SCHEMBL6606241 0.84 PDE4D (0.43) PDE4BPDE4DPDE4APDE4CRECQL
SCHEMBL6610815 0.84 SMN1; SMN2 (0.35) PDE4BPDE4DPDE4APDE4CRECQL
SCHEMBL6610811 0.84 SMN1; SMN2 (0.35) PDE4BPDE4DPDE4APDE4CRECQL

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