SCHEMBL6606590

SCHEMBL6606590

COCOc1cc(/C(C#N)=C/c2c(Cl)cncc2Cl)ncc1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.37
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ATM Q13315 1/20 0.35
HTT P42858 2/20 0.35
EGFR P00533 2/20 0.35
IGF1R P08069 1/20 0.35
IGF2R P11717 1/20 0.35
LMNA P02545 3/20 0.33
HPGD P15428 2/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
CYP2B6 P20813 1/20 0.32

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
SCHEMBL6606599 1.00 MAPT (0.37) MAPTKDM4EALDH1A1NPSR1TDP1
SCHEMBL6605671 0.88 MAPT (0.37) MAPTKDM4EALDH1A1NPSR1TDP1
SCHEMBL6605677 0.88 MAPT (0.37) MAPTKDM4EALDH1A1NPSR1TDP1
SCHEMBL6605292 0.87 PDE4A (0.44) MAPTKDM4EALDH1A1NPSR1TDP1
SCHEMBL6605061 0.87 MAPT (0.36) MAPTKDM4EALDH1A1NPSR1TDP1
SCHEMBL6605284 0.87 PDE4A (0.44) MAPTKDM4EALDH1A1NPSR1TDP1
SCHEMBL6605063 0.87 MAPT (0.36) MAPTKDM4EALDH1A1NPSR1TDP1
SCHEMBL6605787 0.86 CNR2 (0.43) PDE4DPDE4APDE4BPDE4C
SCHEMBL6605781 0.86 CNR2 (0.43) PDE4DPDE4APDE4BPDE4C
SCHEMBL6607214 0.86 MAPT (0.36) MAPTKDM4EALDH1A1NPSR1TDP1

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