SCHEMBL7583640

SCHEMBL7583640

COc1ccc(C2=CC(=O)N(Nc3ccc(Cl)cc3Cl)C2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.59
LMNA P02545 5/20 0.51
NPSR1 Q6W5P4 4/20 0.51
CACNA1B Q00975 3/20 0.51
APBA1 Q02410 3/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 5/20 0.50
HPGD P15428 3/20 0.50
ALOX12 P18054 2/20 0.50
HCRTR1 O43613 1/20 0.50
S1PR4 O95977 1/20 0.50
HSP90AA1 P07900 1/20 0.50
S1PR1 P21453 1/20 0.50
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
HTT P42858 2/20 0.40
GAA P10253 2/20 0.40
CCR6 P51684 2/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL7582195 0.89 MAPT (0.62) MAPTLMNANPSR1CACNA1BAPBA1
SCHEMBL7583394 0.84 MAPT (0.63) MAPTLMNANPSR1CACNA1BAPBA1
SCHEMBL7589474 0.83 MAPT (0.76) MAPTLMNANPSR1CACNA1BAPBA1
SCHEMBL7583023 0.79 MAPT (0.70) MAPTLMNANPSR1CACNA1BAPBA1
SCHEMBL7582617 0.78 MAPT (0.86) MAPTLMNANPSR1CACNA1BAPBA1
SCHEMBL7579326 0.75 MAPT (1.00) MAPTLMNANPSR1CACNA1BAPBA1
SCHEMBL7582428 0.75 MAPT (0.80) MAPTLMNANPSR1CACNA1BAPBA1
SCHEMBL1471785 0.70 MGLL (0.49) MAPTLMNANPSR1CACNA1BAPBA1
SCHEMBL1473614 0.70 MGLL (0.49) MAPTLMNANPSR1CACNA1BAPBA1
SCHEMBL1471712 0.70 MAPT (0.62) MAPTLMNANPSR1ALDH1A1HTT

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