SCHEMBL6609699

SCHEMBL6609699

COc1ncc(/C(C#N)=C/c2ccncc2F)cc1OC1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE4D Q08499 5/20 0.38
PDE4A P27815 5/20 0.38
PDE4B Q07343 4/20 0.38
PDE4C Q08493 3/20 0.38
RECQL P46063 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
EGFR P00533 1/20 0.37
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 2/20 0.35

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
SCHEMBL6609704 1.00 MEN1 (0.39) MEN1MAPTKMT2ALMNAL3MBTL1
SCHEMBL6607099 0.87 SMN1; SMN2 (0.43) MEN1MAPTKMT2ALMNAPDE4D
SCHEMBL6607093 0.87 SMN1; SMN2 (0.43) MEN1MAPTKMT2ALMNAPDE4D
SCHEMBL6609684 0.85 PDE4A (0.40) MEN1MAPTKMT2ALMNAL3MBTL1
SCHEMBL6609677 0.85 PDE4A (0.40) MEN1MAPTKMT2ALMNAL3MBTL1
SCHEMBL6606790 0.83 KDM4E (0.57) MAPTLMNAPDE4DRECQLSMN1; SMN2
SCHEMBL6606794 0.83 KDM4E (0.57) MAPTLMNAPDE4DRECQLSMN1; SMN2
SCHEMBL6605361 0.80 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CRECQL
SCHEMBL6605364 0.80 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CRECQL
SCHEMBL6605938 0.80 FFAR4 (0.36) MEN1MAPTKMT2ALMNAL3MBTL1

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