SCHEMBL6852135

SCHEMBL6852135

[CH2]C#Cc1cc(-c2ncccn2)cs1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 1/20 0.33
CYP19A1 P11511 1/20 0.31

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
SCHEMBL6852143 0.78 CLK4 (0.30) CLK4
Hydrochloric Acid SCHEMBL15911351 0.66 PIK3CD (0.39) CLK4CYP19A1
SCHEMBL6854012 0.66 CLK4 (0.44) CLK4
SCHEMBL6852128 0.66 CYP19A1 (0.32) CLK4CYP19A1
SCHEMBL6850807 0.64 CYP2A6 (0.41) CLK4CYP19A1
SCHEMBL6852359 0.63 CYP19A1 (0.32) CYP19A1
SCHEMBL6852349 0.63 CYP19A1 (0.32) CYP19A1
SCHEMBL6851724 0.61 CYP19A1 (0.31) CYP19A1
SCHEMBL6851728 0.61 CYP19A1 (0.31) CYP19A1
SCHEMBL13539329 0.61 CYP2A6 (0.48) CLK4CYP19A1

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