SCHEMBL6609196

SCHEMBL6609196

COC(=O)c1cc(C=C(C#N)c2cnc(OC)c(OC3Cc4ccccc4C3)c2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
KDM4E B2RXH2 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
EGFR P00533 2/20 0.39
RECQL P46063 1/20 0.39
HIF1A Q16665 1/20 0.39
IGF1R P08069 1/20 0.39
IGF2R P11717 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
NOX1 Q9Y5S8 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 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
SCHEMBL6609189 1.00 MAPT (0.43) MAPTKDM4ESMN1; SMN2ALDH1A1NPC1
SCHEMBL6607249 0.92 PDE4A (0.40) MAPTKDM4ESMN1; SMN2ALDH1A1NPC1
SCHEMBL6607238 0.92 PDE4A (0.40) MAPTKDM4ESMN1; SMN2ALDH1A1NPC1
SCHEMBL6606444 0.87 EGFR (0.44) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL6606448 0.87 EGFR (0.44) MAPTKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL6609083 0.85 MAPT (0.46) MAPTKDM4ESMN1; SMN2ALDH1A1NPC1
SCHEMBL6609089 0.85 MAPT (0.46) MAPTKDM4ESMN1; SMN2ALDH1A1NPC1
SCHEMBL6609662 0.83 MAPT (0.41) MAPTKDM4ESMN1; SMN2ALDH1A1NPC1
SCHEMBL6609657 0.83 MAPT (0.41) MAPTKDM4ESMN1; SMN2ALDH1A1NPC1
SCHEMBL6610871 0.82 MAPT (0.44) MAPTKDM4ESMN1; SMN2ALDH1A1NPC1

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