SCHEMBL6606790

SCHEMBL6606790

COc1ncc(/C(C#N)=C/c2cccnc2)cc1OC1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
POLB P06746 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.49
RECQL P46063 1/20 0.49
HIF1A Q16665 1/20 0.49
EGFR P00533 1/20 0.49
PDGFRB P09619 1/20 0.49
PDGFRA P16234 1/20 0.49
MAPT P10636 3/20 0.49
DYRK1A Q13627 8/20 0.48
KIF20A O95235 6/20 0.48
CLK1 P49759 6/20 0.48
PDE4D Q08499 1/20 0.44
CLK2 P49760 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
DYRK1B Q9Y463 2/20 0.43
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL6606794 1.00 KDM4E (0.57) KDM4ENPC1RAB9APOLBSMN1; SMN2
SCHEMBL6607099 0.90 SMN1; SMN2 (0.43) KDM4ENPC1RAB9APOLBSMN1; SMN2
SCHEMBL6607093 0.90 SMN1; SMN2 (0.43) KDM4ENPC1RAB9APOLBSMN1; SMN2
SCHEMBL6605175 0.85 PDE4A (0.48) KDM4ENPC1RAB9APOLBSMN1; SMN2
SCHEMBL6605178 0.85 PDE4A (0.48) KDM4ENPC1RAB9APOLBSMN1; SMN2
SCHEMBL6609699 0.83 MEN1 (0.39) KDM4ENPC1RAB9APOLBSMN1; SMN2
SCHEMBL6609704 0.83 MEN1 (0.39) KDM4ENPC1RAB9APOLBSMN1; SMN2
SCHEMBL6605953 0.83 KDM4E (0.53) KDM4ENPC1RAB9APOLBSMN1; SMN2
SCHEMBL6605947 0.83 KDM4E (0.53) KDM4ENPC1RAB9APOLBSMN1; SMN2
SCHEMBL6606669 0.82 PDE4D (0.42) KDM4ENPC1RAB9APOLBSMN1; SMN2

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