SCHEMBL6852482

SCHEMBL6852482

O=CC#Cc1cc(-c2ccncc2)cs1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
ERN1 O75460 2/20 0.36
PDE3B Q13370 5/20 0.33
PDE3A Q14432 5/20 0.33
CDC7 O00311 1/20 0.33
DBF4 Q9UBU7 1/20 0.33
KIF11 P52732 3/20 0.32
NOTUM Q6P988 1/20 0.32
MMP12 P39900 1/20 0.32
MMP13 P45452 1/20 0.32
GRM5 P41594 1/20 0.32
DYRK1A Q13627 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
QDPR P09417 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30

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
SCHEMBL6848130 0.83 DYRK1A (0.54) ERN1GRM5DYRK1ADYRK1B
SCHEMBL6847782 0.82 CYP3A4 (0.36) MAPTGRM5
SCHEMBL6852143 0.79 CLK4 (0.30)
SCHEMBL6854031 0.77 MAPT (0.41) LMNAMAPTPDE3BPDE3AKIF11
SCHEMBL6851937 0.77 CYP2A6 (0.38) LMNAMAPTERN1GRM5PIK3CD
SCHEMBL6852047 0.73 MAPK14 (0.51) LMNAMAPTNOTUMMMP12MMP13
SCHEMBL6854124 0.73 HDAC3 (0.41) LMNAMAPTCDC7DBF4
SCHEMBL6848148 0.73 MAPT (0.44) LMNAMAPTERN1PDE3BPDE3A
SCHEMBL6194738 0.71 LMNA (0.46) LMNAMAPTERN1PDE3BPDE3A
SCHEMBL3834463 0.65

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
CN-1585775-A 6-O-acyl ketolide derivatives of erythromycine useful as antibacterials ORTHO MCNEIL PHARM INC (US) 2005-02-23 CN disclosed
US-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed
EP-1453847-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-09-08 EP disclosed
WO-2003050132-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-06-19 WO disclosed