SCHEMBL8519729

SCHEMBL8519729

COc1cnc(C(C#N)=Cc2ccc(C(F)(F)F)cc2)cc1OC1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.41
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
EGFR P00533 4/20 0.40
IGF1R P08069 1/20 0.40
IGF2R P11717 1/20 0.40
MAPT P10636 6/20 0.39
GAA P10253 3/20 0.39
HPGD P15428 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ATM Q13315 1/20 0.39
TP53 P04637 2/20 0.38
POLB P06746 3/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 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
SCHEMBL8519728 1.00 PDE4D (0.41) PDE4DPDE4APDE4BPDE4CEGFR
SCHEMBL6609046 0.88 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CEGFR
SCHEMBL6609041 0.88 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CEGFR
SCHEMBL6609611 0.87 PDE4B (0.43) PDE4DPDE4APDE4BPDE4CEGFR
SCHEMBL6609617 0.87 PDE4B (0.43) PDE4DPDE4APDE4BPDE4CEGFR
SCHEMBL6606116 0.87 MAPT (0.47) PDE4DPDE4APDE4BPDE4CEGFR
SCHEMBL6606109 0.87 MAPT (0.47) PDE4DPDE4APDE4BPDE4CEGFR
SCHEMBL8484322 0.83 PDE4D (0.47) PDE4DPDE4APDE4BPDE4CEGFR
SCHEMBL8484327 0.83 PDE4D (0.47) PDE4DPDE4APDE4BPDE4CEGFR
SCHEMBL6605953 0.81 KDM4E (0.53) PDE4DPDE4APDE4BPDE4CEGFR

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