SCHEMBL11295035

SCHEMBL11295035

COC(=O)CCN(CCC(=O)OC)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.42
RAB9A P51151 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NPC1 O15118 3/20 0.42
MAPK1 P28482 2/20 0.42
HSP90AA1 P07900 1/20 0.42
RECQL P46063 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MMP14 P50281 1/20 0.40
ALDH1A1 P00352 4/20 0.35
MCL1 Q07820 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL12690229 1.00 MAPT (0.42) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL12690326 0.93 MAPT (0.49) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL30440380 0.93 MAPT (0.49) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL30887116 0.90 MMP14 (0.47) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL13966044 0.86 MAPT (0.39) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL17305940 0.81 MAPK1 (0.36) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL14822673 0.79 MMP14 (0.44) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL13966035 0.79 MAPT (0.45) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL29804181 0.77 MAPT (0.47) MAPTRAB9AMEN1KMT2ANPC1
SCHEMBL9345361 0.77 MAPT (0.56) MAPTRAB9AMEN1KMT2ANPC1

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-0056523-A2 Aqueous dispersions IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-07-28 EP disclosed