SCHEMBL2152501

SCHEMBL2152501

O=C(O)Nc1cccc(Cn2nc(-c3ccc(OCCN4CCOCC4)cc3)ccc2=O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 11/20 0.65
▸ HRH3 Q9Y5N1 1/20 0.47
▸ AURKB Q96GD4 1/20 0.47
▸ EPHX2 P34913 2/20 0.46
▸ ABL1 P00519 1/20 0.46
▸ TUBB4A P04350 1/20 0.46
▸ TUBB P07437 1/20 0.46
▸ LYN P07948 1/20 0.46
▸ TUBA3C P0DPH7 1/20 0.46
▸ BCR P11274 1/20 0.46
▸ SRC P12931 1/20 0.46
▸ TUBA1B P68363 1/20 0.46
▸ TUBA4A P68366 1/20 0.46
▸ TUBB4B P68371 1/20 0.46
▸ TUBB3 Q13509 1/20 0.46
▸ TUBB2A Q13885 1/20 0.46
▸ TUBB8 Q3ZCM7 1/20 0.46
▸ TUBA3E Q6PEY2 1/20 0.46
▸ TUBA1A Q71U36 1/20 0.46
▸ TUBA1C Q9BQE3 1/20 0.46

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
SCHEMBL12463380 0.91 MET (0.70) METHRH3
SCHEMBL12462916 0.84 MET (0.69) MET
SCHEMBL2152552 0.84 MET (0.57) METHRH3
SCHEMBL2152910 0.84 MET (0.61) METHRH3
SCHEMBL4404311 0.84 MET (0.72) MET
SCHEMBL2672982 0.83 MET (0.69) MET
SCHEMBL2673749 0.83 MET (0.60) METAURKBEPHX2
SCHEMBL2152612 0.83 MET (0.55) METHRH3ABL1TUBB4ATUBB
SCHEMBL2672869 0.82 MET (0.91) MET
SCHEMBL2153009 0.81 MET (0.71) MET

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
EP-2152370-B1 ARYL ETHER PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2011-07-06 — — EP claimed
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