SCHEMBL6605936

SCHEMBL6605936

COc1ccc(/C(C#N)=C/c2ccncc2F)nc1OC1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE4A P27815 7/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
EGFR P00533 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
GPR6 P46095 3/20 0.34
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
CLK1 P49759 3/20 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
SCHEMBL6605938 1.00 FFAR4 (0.36) FFAR4MAPTMEN1LMNAKMT2A
SCHEMBL6606084 0.84 MAPT (0.39) MAPTMEN1LMNAKMT2APDE4A
SCHEMBL6606089 0.84 MAPT (0.39) MAPTMEN1LMNAKMT2APDE4A
SCHEMBL6609677 0.84 PDE4A (0.40) MAPTMEN1LMNAKMT2AL3MBTL1
SCHEMBL6609684 0.84 PDE4A (0.40) MAPTMEN1LMNAKMT2AL3MBTL1
SCHEMBL6609813 0.83 KDM4E (0.52) MAPTMEN1LMNAKMT2ARECQL
SCHEMBL6609810 0.83 KDM4E (0.52) MAPTMEN1LMNAKMT2ARECQL
SCHEMBL6609704 0.80 MEN1 (0.39) MAPTMEN1LMNAKMT2AL3MBTL1
SCHEMBL6609699 0.80 MEN1 (0.39) MAPTMEN1LMNAKMT2AL3MBTL1
SCHEMBL6611085 0.80 PDE4D (0.43) FFAR4PDE4APDE4BPDE4CPDE4D

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