SCHEMBL6604710

SCHEMBL6604710

COc1ccc(C2=NN(C(=O)Cc3ccc(NC(=O)c4ccncc4)cc3)CCC2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PDE4B Q07343 2/20 0.47
NAMPT P43490 2/20 0.47
MAOB P27338 1/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 1/20 0.47
PKM P14618 1/20 0.47
POLB P06746 3/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 3/20 0.44
MAPT P10636 1/20 0.44
CFTR P13569 2/20 0.43
USP2 O75604 1/20 0.43
ABCB1 P08183 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42

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
Hydrochloric Acid SCHEMBL7646587 0.99 LMNA (0.50) LMNAMAPK1HTTSMN1; SMN2L3MBTL1
SCHEMBL6601945 0.90 ABCG2 (0.53) LMNAMAPK1HTTSMN1; SMN2PDE4B
Hydrochloric Acid SCHEMBL7650717 0.89 ABCG2 (0.53) LMNAMAPK1HTTSMN1; SMN2PDE4B
SCHEMBL6603307 0.88 LMNA (0.54) LMNAMAPK1HTTSMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL7652840 0.87 LMNA (0.53) LMNAMAPK1HTTSMN1; SMN2L3MBTL1
SCHEMBL6602631 0.85 ABCG2 (0.48) LMNAMAPK1HTTSMN1; SMN2PDE4B
SCHEMBL6600871 0.85 ALDH1A1 (0.50) MAPK1SMN1; SMN2PDE4BMAOBMEN1
SCHEMBL6606959 0.84 ABCG2 (0.47) LMNAMAPK1HTTSMN1; SMN2PDE4B
SCHEMBL6601874 0.83 ABCG2 (0.47) SMN1; SMN2PDE4BALDH1A1NPC1RAB9A
SCHEMBL6601230 0.83 HTT (0.47) LMNAMAPK1HTTSMN1; SMN2L3MBTL1

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-0922036-B1 ARYLALKANOYL PYRIDAZINES MERCK PATENT GMBH (DE) 2004-03-24 EP disclosed