SCHEMBL6608643

SCHEMBL6608643

COc1cnc(/C(C#N)=C/c2cccs2)cc1OC1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
PDE4B Q07343 12/20 0.41
PDE4A P27815 8/20 0.41
PDE4C Q08493 8/20 0.41
PDE4D Q08499 8/20 0.41
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TRPC6 Q9Y210 2/20 0.37
ATM Q13315 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
SCHEMBL6608648 1.00 NPC1 (0.47) NPC1RAB9APDE4BPDE4APDE4C
SCHEMBL6606109 0.83 MAPT (0.47) NPC1RAB9APDE4BPDE4APDE4C
SCHEMBL6607722 0.83 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL6607729 0.83 PDE4B (0.44) PDE4BPDE4APDE4CPDE4DMAPT
SCHEMBL6606116 0.83 MAPT (0.47) NPC1RAB9APDE4BPDE4APDE4C
SCHEMBL6609046 0.82 PDE4D (0.45) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL6609041 0.82 PDE4D (0.45) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL6609676 0.81 PDE4B (0.44) PDE4BPDE4APDE4CPDE4D
SCHEMBL6609672 0.81 PDE4B (0.44) PDE4BPDE4APDE4CPDE4D
SCHEMBL6610551 0.81 PDE4D (0.43) PDE4BPDE4APDE4CPDE4DLMNA

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