SCHEMBL7580778

SCHEMBL7580778

O=C1C=C(c2cccc(Cl)c2)C(=O)N1Nc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.73
ALDH1A1 P00352 5/20 0.73
NPSR1 Q6W5P4 4/20 0.73
CACNA1B Q00975 3/20 0.73
APBA1 Q02410 3/20 0.73
GAA P10253 3/20 0.73
HPGD P15428 2/20 0.73
ALOX12 P18054 2/20 0.73
CCR6 P51684 2/20 0.73
LMNA P02545 5/20 0.72
HSP90AA1 P07900 2/20 0.72
HCRTR1 O43613 1/20 0.72
S1PR4 O95977 1/20 0.72
S1PR1 P21453 1/20 0.72
HTT P42858 3/20 0.60
TDP1 Q9NUW8 1/20 0.54
CYP1A2 P05177 1/20 0.41
CNR2 P34972 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41

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
SCHEMBL7582583 0.85 MAPT (1.00) MAPTALDH1A1NPSR1CACNA1BAPBA1
SCHEMBL7582505 0.84 MAPT (1.00) MAPTALDH1A1NPSR1CACNA1BAPBA1
SCHEMBL7579280 0.83 MAPT (0.72) MAPTALDH1A1NPSR1CACNA1BAPBA1
SCHEMBL7580755 0.78 MAPT (0.84) MAPTALDH1A1NPSR1CACNA1BAPBA1
SCHEMBL7583394 0.77 MAPT (0.63) MAPTALDH1A1NPSR1CACNA1BAPBA1
SCHEMBL7582161 0.76 MAPT (0.86) MAPTALDH1A1NPSR1CACNA1BAPBA1
SCHEMBL7580750 0.75 MAPT (1.00) MAPTALDH1A1NPSR1CACNA1BAPBA1
SCHEMBL7580868 0.75 MAPT (0.89) MAPTALDH1A1NPSR1CACNA1BAPBA1
SCHEMBL6003662 0.73 PGR (0.46) MAPTALDH1A1GAAHPGDHTT
SCHEMBL7579326 0.72 MAPT (1.00) MAPTALDH1A1NPSR1CACNA1BAPBA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6476061-B1 Fungicides containing pyrrolidones as their active agents BASF AKTIENGESELLSCHAFT (DE) 2002-11-05 US claimed
EP-1133229-B1 FUNGICIDES CONTAINING PYRROLIDONES AS THEIR ACTIVE AGENTS BASF AG (DE) 2002-10-09 EP claimed
US-6476061-B1 Fungicides containing pyrrolidones as their active agents BASF AKTIENGESELLSCHAFT (DE) 2002-11-05 US disclosed
EP-1133229-B1 FUNGICIDES CONTAINING PYRROLIDONES AS THEIR ACTIVE AGENTS BASF AG (DE) 2002-10-09 EP disclosed