SCHEMBL6604955

SCHEMBL6604955

COc1ccc(C=C(C#N)c2ccncc2)nc1OC1Cc2ccccc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
EGFR P00533 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
NOX1 Q9Y5S8 1/20 0.38
PDE4B Q07343 9/20 0.36
PDE4A P27815 6/20 0.36
PDE4C Q08493 6/20 0.36
PDE4D Q08499 6/20 0.36
POLB P06746 3/20 0.36
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL6604946 1.00 NPC1 (0.43) NPC1RAB9AMAPTKDM4EL3MBTL1
SCHEMBL6609024 0.84 PDE4A (0.46) NPC1RAB9AMAPTKDM4EL3MBTL1
SCHEMBL6609021 0.84 PDE4A (0.46) NPC1RAB9AMAPTKDM4EL3MBTL1
SCHEMBL6610539 0.83 PDE4D (0.39) NPC1RAB9AMAPTKDM4EL3MBTL1
SCHEMBL6610544 0.83 PDE4D (0.39) NPC1RAB9AMAPTKDM4EL3MBTL1
SCHEMBL6609482 0.82 MAPT (0.41) NPC1RAB9AMAPTKDM4ERECQL
SCHEMBL6609487 0.82 MAPT (0.41) NPC1RAB9AMAPTKDM4ERECQL
SCHEMBL6605036 0.81 MAPT (0.43) NPC1RAB9AMAPTKDM4EL3MBTL1
SCHEMBL6605043 0.81 MAPT (0.43) NPC1RAB9AMAPTKDM4EL3MBTL1
SCHEMBL6607907 0.77 SMN1; SMN2 (0.46) NPC1RAB9AMAPTKDM4EL3MBTL1

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