SCHEMBL4484596

SCHEMBL4484596

COC1CC(C(=O)Nc2cccc3ccc(C)nc23)CCC1NCc1cc2c(cn1)OCCO2

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.61
PLAU P00749 1/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
TP53 P04637 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL4484599 1.00 KCNH2 (0.61) KCNH2PLAUGAAMAPTTHRB
Hydrochloric Acid SCHEMBL4480673 0.99 KCNH2 (0.60) KCNH2PLAUGAAMAPTTHRB
Hydrochloric Acid SCHEMBL4480676 0.99 KCNH2 (0.60) KCNH2PLAUGAAMAPTTHRB
SCHEMBL4496359 0.86 KCNH2 (0.75) KCNH2PLAU
SCHEMBL4496363 0.86 KCNH2 (0.75) KCNH2PLAU
Hydrochloric Acid SCHEMBL4489288 0.85 KCNH2 (0.74) KCNH2PLAU
Hydrochloric Acid SCHEMBL4489294 0.85 KCNH2 (0.74) KCNH2PLAU
SCHEMBL13887548 0.81 KCNH2 (0.46) KCNH2
SCHEMBL4494398 0.79 KCNH2 (0.50) KCNH2PLAUGAAMAPTMEN1
SCHEMBL3577583 0.79 KCNH2 (0.47) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622481-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2009-11-24 US claimed