SCHEMBL6609657

SCHEMBL6609657

COC(=O)c1cccc(/C(C#N)=C/c2cnc(OC)c(OC3Cc4ccccc4C3)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KDM4E B2RXH2 3/20 0.41
RECQL P46063 3/20 0.41
ALDH1A1 P00352 3/20 0.41
EGFR P00533 2/20 0.41
HIF1A Q16665 1/20 0.41
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
LMNA P02545 3/20 0.39
HTT P42858 3/20 0.39
PDE4A P27815 5/20 0.37
PDE4B Q07343 5/20 0.37
PDE4C Q08493 5/20 0.37
PDE4D Q08499 5/20 0.37

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
SCHEMBL6609662 1.00 MAPT (0.41) MAPTSMN1; SMN2KDM4ERECQLALDH1A1
SCHEMBL6608593 0.92 PDE4A (0.43) MAPTSMN1; SMN2KDM4ERECQLALDH1A1
SCHEMBL6608598 0.92 PDE4A (0.43) MAPTSMN1; SMN2KDM4ERECQLALDH1A1
SCHEMBL6608855 0.89 SMN1; SMN2 (0.42) MAPTSMN1; SMN2KDM4ERECQLALDH1A1
SCHEMBL6608853 0.89 SMN1; SMN2 (0.42) MAPTSMN1; SMN2KDM4ERECQLALDH1A1
SCHEMBL6607901 0.84 SMN1; SMN2 (0.46) MAPTSMN1; SMN2KDM4ERECQLEGFR
SCHEMBL6607907 0.84 SMN1; SMN2 (0.46) MAPTSMN1; SMN2KDM4ERECQLEGFR
SCHEMBL6608388 0.83 PDE4B (0.41) MAPTSMN1; SMN2KDM4ERECQLALDH1A1
SCHEMBL6608397 0.83 PDE4B (0.41) MAPTSMN1; SMN2KDM4ERECQLALDH1A1
SCHEMBL6609189 0.83 MAPT (0.43) MAPTSMN1; SMN2KDM4ERECQLALDH1A1

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 2 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
EP-0882714-A1 SUBSTITUTED VINYLPYRIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SS Pharmaceutical Co., Ltd. (JP) 1998-12-09 EP disclosed