SCHEMBL6607425

SCHEMBL6607425

COc1ccc(C(C#N)=Cc2c(Cl)cccc2Cl)nc1OC1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
MAPT P10636 5/20 0.40
ALDH1A1 P00352 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
PDE4D Q08499 11/20 0.39
PDE4A P27815 7/20 0.39
PDE4B Q07343 7/20 0.39
PDE4C Q08493 7/20 0.39
HTT P42858 2/20 0.39
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.35
FPR2 P25090 2/20 0.34
ATM Q13315 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
SCHEMBL6607423 1.00 KDM4E (0.40) KDM4EMAPTALDH1A1NPSR1MEN1
SCHEMBL6611092 0.91 PDE4D (0.43) PDE4DPDE4APDE4BPDE4C
SCHEMBL6611085 0.91 PDE4D (0.43) PDE4DPDE4APDE4BPDE4C
SCHEMBL6610551 0.82 PDE4D (0.43) KDM4EMAPTALDH1A1NPSR1MEN1
SCHEMBL6610555 0.82 PDE4D (0.43) KDM4EMAPTALDH1A1NPSR1MEN1
SCHEMBL6606084 0.81 MAPT (0.39) KDM4EMAPTALDH1A1NPSR1MEN1
SCHEMBL6606089 0.81 MAPT (0.39) KDM4EMAPTALDH1A1NPSR1MEN1
SCHEMBL6606520 0.81 PDE4B (0.42) KDM4EMAPTALDH1A1NPSR1MEN1
SCHEMBL6606526 0.81 PDE4B (0.42) KDM4EMAPTALDH1A1NPSR1MEN1
SCHEMBL6609810 0.80 KDM4E (0.52) KDM4EMAPTALDH1A1NPSR1MEN1

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