SCHEMBL15428468

SCHEMBL15428468

COC(C)C(N)C(=O)NCCOc1cnc(-c2cccc(Cn3nc(-c4cnn(C)c4)ccc3=O)c2)nc1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 19/20 0.55
▸ NQO2 P16083 1/20 0.45
▸ HDAC1 Q13547 1/20 0.44

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
SCHEMBL2460117 1.00 MET (0.55) METNQO2HDAC1
SCHEMBL2456716 0.87 MET (0.64) METNQO2
SCHEMBL15428449 0.87 MET (0.60) METNQO2
SCHEMBL2528788 0.86 MET (0.54) METNQO2
SCHEMBL2528792 0.86 MET (0.54) METNQO2
SCHEMBL12239820 0.83 MET (0.57) METNQO2HDAC1
SCHEMBL3084139 0.83 MET (0.64) METNQO2
SCHEMBL3088599 0.82 MET (0.76) METNQO2
SCHEMBL2455862 0.82 MET (0.63) METNQO2HDAC1
SCHEMBL2526060 0.82 MET (0.56) METNQO2HDAC1

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-8637518-B2 Pyridazinone derivatives MERCK PATENT GMBH (DE) 2014-01-28 — — US claimed
Send feedback