SCHEMBL12194158

SCHEMBL12194158

O=c1ccc(-c2cccc(O)c2)nn1Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.69
▸ SMN1; SMN2 Q16637 2/20 0.69
▸ KMT2A Q03164 3/20 0.49
▸ POLB P06746 1/20 0.49
▸ MET P08581 6/20 0.47
▸ GABRA1 P14867 2/20 0.47
▸ GABRB2 P47870 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ PDE4A P27815 1/20 0.47
▸ PDE4B Q07343 1/20 0.47
▸ PDE4C Q08493 1/20 0.47
▸ PDE4D Q08499 1/20 0.47
▸ CHEK1 O14757 1/20 0.46
▸ NEK2 P51955 1/20 0.46
▸ LIMK1 P53667 1/20 0.46
▸ TYRO3 Q06418 1/20 0.46
▸ CLK4 Q9HAZ1 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ TSHR P16473 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
SCHEMBL3841951 0.89 MAPT (0.78) MAPTSMN1; SMN2KMT2APOLBMET
SCHEMBL4129601 0.87 MAPT (0.69) MAPTSMN1; SMN2KMT2APOLBMET
SCHEMBL2470365 0.83 MAPT (0.77) MAPTSMN1; SMN2KMT2APOLBMEN1
SCHEMBL2470591 0.83 MAPT (0.77) MAPTSMN1; SMN2KMT2APOLBMET
SCHEMBL1949173 0.83 MAPT (0.70) MAPTSMN1; SMN2KMT2APOLBMET
SCHEMBL14494768 0.81 MET (0.50) MAPTSMN1; SMN2KMT2APOLBMET
SCHEMBL4134359 0.79 MAPT (0.64) MAPTSMN1; SMN2KMT2APOLBMET
SCHEMBL3117740 0.78 MAPT (0.58) MAPTSMN1; SMN2KMT2APOLBMET
SCHEMBL3117728 0.78 MAPT (0.58) MAPTSMN1; SMN2KMT2APOLBMET
SCHEMBL13247060 0.77 MET (0.70) MAPTSMN1; SMN2MET

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-1960370-B1 PYRIDIAZINONE DERIVATIVES FOR TUMOUR TREATMENT MERCK PATENT GMBH (DE) 2011-10-05 — — EP disclosed
Send feedback