SCHEMBL6605728

SCHEMBL6605728

COc1ccc(C2=NN(C(=O)c3ccc(NC(=O)c4cccs4)cc3)CCC2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.59
KMT2A Q03164 8/20 0.55
L3MBTL1 Q9Y468 2/20 0.52
MEN1 O00255 7/20 0.52
KDM4E B2RXH2 3/20 0.52
HPGD P15428 2/20 0.52
THRB P10828 1/20 0.52
RAB9A P51151 4/20 0.51
NPC1 O15118 2/20 0.51
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
ALDH1A1 P00352 6/20 0.48
POLB P06746 2/20 0.48
TP53 P04637 2/20 0.48
GAA P10253 1/20 0.48
BLM P54132 1/20 0.47
MAOB P27338 1/20 0.47
PKM P14618 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
SCHEMBL6607041 0.94 MAPT (0.52) MAPTKMT2AL3MBTL1MEN1KDM4E
SCHEMBL6603998 0.93 MAPT (0.51) MAPTKMT2AL3MBTL1MEN1KDM4E
SCHEMBL6604019 0.92 MAPT (0.50) MAPTKMT2AL3MBTL1MEN1KDM4E
SCHEMBL6604036 0.92 L3MBTL1 (0.55) MAPTKMT2AL3MBTL1MEN1KDM4E
SCHEMBL6603127 0.90 MAPT (0.47) MAPTKMT2AL3MBTL1MEN1KDM4E
SCHEMBL6603307 0.86 LMNA (0.54) KMT2AL3MBTL1MEN1RAB9ANPC1
SCHEMBL6602172 0.86 L3MBTL1 (0.49) MAPTKMT2AL3MBTL1MEN1KDM4E
SCHEMBL6604600 0.85 ABCG2 (0.52) MAPTKMT2AL3MBTL1MEN1KDM4E
Hydrochloric Acid SCHEMBL7652840 0.85 LMNA (0.53) KMT2AL3MBTL1MEN1RAB9ANPC1
SCHEMBL6604008 0.85 ALDH1A1 (0.51) MAPTKMT2AMEN1RAB9ANPC1

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