SCHEMBL4081415

SCHEMBL4081415

CCOC(=O)c1cccc(-n2ccnc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
PDE4A P27815 1/20 0.56
PDE4B Q07343 1/20 0.56
PDE4C Q08493 1/20 0.56
PDE4D Q08499 1/20 0.56
ABL1 P00519 1/20 0.53
LMNA P02545 2/20 0.52
IDO1 P14902 1/20 0.51
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
MITF O75030 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
HTT P42858 1/20 0.50
ALOX15 P16050 1/20 0.49
ALOX5 P09917 1/20 0.48
ATM Q13315 1/20 0.48
JMJD6 Q6NYC1 1/20 0.47

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
SCHEMBL7869625 0.85 PDE4A (0.52) L3MBTL1PDE4APDE4BPDE4CPDE4D
SCHEMBL5868840 0.85 HTT (0.69) L3MBTL1PDE4APDE4BPDE4CPDE4D
SCHEMBL5800533 0.83 HTT (0.71) L3MBTL1PDE4APDE4BPDE4CPDE4D
SCHEMBL9454804 0.83 SMN1; SMN2 (0.54) LMNAALDH1A1SMN1; SMN2KDM4EALOX15
SCHEMBL7830321 0.83 SMN1; SMN2 (0.56) LMNAALDH1A1SMN1; SMN2ALOX15ALOX5
Hydrochloric Acid SCHEMBL28276875 0.82 HTT (0.69) L3MBTL1PDE4APDE4BPDE4CPDE4D
SCHEMBL10851507 0.82 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DABL1
SCHEMBL13985219 0.82 MAPT (0.48) L3MBTL1LMNAIDO1ALDH1A1SMN1; SMN2
SCHEMBL7280094 0.80 CYP3A4 (0.67) L3MBTL1PDE4APDE4BPDE4CPDE4D
SCHEMBL3118463 0.79 IDO1 (0.61) PDE4APDE4BPDE4CPDE4DABL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2083816-A2 HETEROCYCLIC AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS Brystol-Myers Squibb Company (US) 2009-08-05 EP disclosed
WO-2008057775-A2 HETEROCYCLIC AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 WO disclosed
US-5234946-A Anticholesterol, antilipemic BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-10 US disclosed
EP-0395768-A1 SUBSTITUTED ALLYLAMINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE BANYU PHARMACEUTICAL CO., LTD. (JP) 1990-11-07 EP disclosed