SCHEMBL8398010

SCHEMBL8398010

CCCCOc1nc(C(C#N)=Cc2c(Cl)cncc2Cl)ccc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.40
PDE4A P27815 3/20 0.40
PDE4B Q07343 3/20 0.40
PDE4C Q08493 3/20 0.40
MAPT P10636 5/20 0.37
KDM4E B2RXH2 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTT P42858 1/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.33
EGFR P00533 2/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
IGF1R P08069 1/20 0.33

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
SCHEMBL8398005 1.00 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL6609522 0.92 MAPT (0.37) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL6609518 0.92 MAPT (0.37) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL6611254 0.91 MAPT (0.36) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL6611260 0.91 MAPT (0.36) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL6609086 0.91 MAPT (0.38) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL6609082 0.91 MAPT (0.38) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL6609893 0.90 MAPT (0.36) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL6609888 0.90 MAPT (0.36) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL6606085 0.88 MAPT (0.38) PDE4DPDE4APDE4BPDE4CMAPT

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
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