SCHEMBL6608853

SCHEMBL6608853

COC(=O)c1cccc(/C(C#N)=C/c2cnc(OC)c(OC3CCCC3)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
RECQL P46063 1/20 0.42
HIF1A Q16665 1/20 0.42
EGFR P00533 1/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
PDE4D Q08499 4/20 0.40
MAPT P10636 3/20 0.40
PDE4A P27815 3/20 0.40
PDE4B Q07343 3/20 0.40
PDE4C Q08493 3/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40

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
SCHEMBL6608855 1.00 SMN1; SMN2 (0.42) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL6605851 0.92 PDE4A (0.49) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL6605848 0.92 PDE4A (0.49) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL6609657 0.89 MAPT (0.41) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL6609662 0.89 MAPT (0.41) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL6607210 0.83 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL6607203 0.83 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL6605175 0.82 PDE4A (0.48) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL6605178 0.82 PDE4A (0.48) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL6608598 0.81 PDE4A (0.43) SMN1; SMN2RECQLHIF1AEGFRPDGFRB

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