SCHEMBL2152510

SCHEMBL2152510

CCN(C(=O)O)c1cccc(Cn2nc(-c3ccc(OCCCO)cc3)ccc2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.48
▸ MAPT P10636 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MET P08581 9/20 0.47
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ PDE4A P27815 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4C Q08493 1/20 0.43
▸ PDE4D Q08499 1/20 0.43

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
SCHEMBL2152667 0.91 MET (0.57) HRH3MAPTSMN1; SMN2METMEN1
SCHEMBL2152783 0.91 MAPT (0.49) HRH3MAPTSMN1; SMN2METMEN1
SCHEMBL3119810 0.86 MEN1 (0.50) HRH3MAPTSMN1; SMN2METMEN1
SCHEMBL2152612 0.85 MET (0.55) HRH3MAPTSMN1; SMN2MET
SCHEMBL2152422 0.84 SUCNR1 (0.47) HRH3MAPTSMN1; SMN2MET
SCHEMBL3112440 0.84 MEN1 (0.50) MAPTSMN1; SMN2METMEN1KMT2A
SCHEMBL3119589 0.84 MEN1 (0.50) MAPTSMN1; SMN2METMEN1KMT2A
SCHEMBL3103580 0.84 MEN1 (0.48) MAPTSMN1; SMN2METMEN1KMT2A
SCHEMBL3122723 0.82 MET (0.48) METMEN1KMT2APDE4APDE4B
SCHEMBL3122686 0.82 HDAC1 (0.48) METMEN1KMT2A

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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