SCHEMBL6606084

SCHEMBL6606084

COc1ccc(/C(C#N)=C/c2ccncc2)nc1OC1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
KDM4E B2RXH2 7/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 3/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
ATM Q13315 1/20 0.39
PDE4D Q08499 1/20 0.38
PDE4A P27815 4/20 0.38
LMNA P02545 3/20 0.38
EGFR P00533 2/20 0.38
RECQL P46063 2/20 0.38
HIF1A Q16665 1/20 0.38
IGF1R P08069 1/20 0.38
IGF2R P11717 1/20 0.38
MAPK1 P28482 1/20 0.38
PDGFRB P09619 1/20 0.38

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
SCHEMBL6606089 1.00 MAPT (0.39) MAPTKDM4ESMN1; SMN2ALDH1A1GAA
SCHEMBL6609810 0.88 KDM4E (0.52) MAPTKDM4ESMN1; SMN2ALDH1A1RAB9A
SCHEMBL6609813 0.88 KDM4E (0.52) MAPTKDM4ESMN1; SMN2ALDH1A1RAB9A
SCHEMBL6609487 0.87 MAPT (0.41) MAPTKDM4ESMN1; SMN2ALDH1A1GAA
SCHEMBL6609482 0.87 MAPT (0.41) MAPTKDM4ESMN1; SMN2ALDH1A1GAA
SCHEMBL6605938 0.84 FFAR4 (0.36) MAPTKDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL6605936 0.84 FFAR4 (0.36) MAPTKDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL6611092 0.82 PDE4D (0.43) PDE4DPDE4A
SCHEMBL6611085 0.82 PDE4D (0.43) PDE4DPDE4A
SCHEMBL6607425 0.81 KDM4E (0.40) MAPTKDM4EALDH1A1KMT2AMEN1

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