SCHEMBL7584263

SCHEMBL7584263

O=C1C=C(c2ccc(Cl)cc2)C(=O)N1Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.69
NPSR1 Q6W5P4 4/20 0.69
LMNA P02545 4/20 0.69
CACNA1B Q00975 3/20 0.69
APBA1 Q02410 3/20 0.69
TDP1 Q9NUW8 1/20 0.69
ALDH1A1 P00352 3/20 0.68
HPGD P15428 2/20 0.68
ALOX12 P18054 2/20 0.68
HCRTR1 O43613 1/20 0.68
S1PR4 O95977 1/20 0.68
HSP90AA1 P07900 1/20 0.68
S1PR1 P21453 1/20 0.68
GAA P10253 3/20 0.52
CCR6 P51684 2/20 0.52
HTT P42858 2/20 0.50
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
EPHX1 P07099 2/20 0.44
EPHX2 P34913 2/20 0.44

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
SCHEMBL7582161 0.88 MAPT (0.86) MAPTNPSR1LMNACACNA1BAPBA1
SCHEMBL7580832 0.82 MAPT (1.00) MAPTNPSR1LMNACACNA1BAPBA1
SCHEMBL7582395 0.82 MAPT (0.75) MAPTNPSR1LMNACACNA1BAPBA1
SCHEMBL7582309 0.82 MAPT (1.00) MAPTNPSR1LMNACACNA1BAPBA1
SCHEMBL7582505 0.81 MAPT (1.00) MAPTNPSR1LMNACACNA1BAPBA1
SCHEMBL7579280 0.81 MAPT (0.72) MAPTNPSR1LMNACACNA1BAPBA1
SCHEMBL7582195 0.79 MAPT (0.62) MAPTNPSR1LMNACACNA1BAPBA1
SCHEMBL7589474 0.78 MAPT (0.76) MAPTNPSR1LMNACACNA1BAPBA1
SCHEMBL1471669 0.72 RAD51 (0.46) MAPTNPSR1LMNACACNA1BAPBA1
SCHEMBL7583394 0.71 MAPT (0.63) MAPTNPSR1LMNACACNA1BAPBA1

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