SCHEMBL7580868

SCHEMBL7580868

Cc1ccc(C2=CC(=O)N(Nc3ccccc3)C2=O)cc1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.89
NPSR1 Q6W5P4 6/20 0.89
ALDH1A1 P00352 6/20 0.89
LMNA P02545 4/20 0.89
GAA P10253 2/20 0.89
CCR6 P51684 2/20 0.89
HTT P42858 2/20 0.89
CACNA1B Q00975 3/20 0.79
APBA1 Q02410 3/20 0.79
ALOX12 P18054 3/20 0.79
HPGD P15428 3/20 0.79
TDP1 Q9NUW8 2/20 0.74
HCRTR1 O43613 1/20 0.74
S1PR4 O95977 1/20 0.74
HSP90AA1 P07900 1/20 0.74
S1PR1 P21453 1/20 0.74
RGS4 P49798 1/20 0.54
CYP1A2 P05177 1/20 0.49
FOS P01100 1/20 0.40
JUN P05412 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
SCHEMBL7580750 0.94 MAPT (1.00) MAPTNPSR1ALDH1A1LMNAGAA
SCHEMBL7582583 0.89 MAPT (1.00) MAPTNPSR1ALDH1A1LMNAGAA
SCHEMBL7580794 0.88 MAPT (0.79) MAPTNPSR1ALDH1A1LMNAGAA
SCHEMBL7580755 0.88 MAPT (0.84) MAPTNPSR1ALDH1A1LMNAGAA
SCHEMBL7582309 0.85 MAPT (1.00) MAPTNPSR1ALDH1A1LMNAGAA
SCHEMBL7580832 0.85 MAPT (1.00) MAPTNPSR1ALDH1A1LMNAGAA
SCHEMBL7582505 0.85 MAPT (1.00) MAPTNPSR1ALDH1A1LMNAGAA
SCHEMBL7579326 0.84 MAPT (1.00) MAPTNPSR1ALDH1A1LMNAGAA
SCHEMBL7579280 0.78 MAPT (0.72) MAPTNPSR1ALDH1A1LMNAGAA
SCHEMBL7582161 0.76 MAPT (0.86) MAPTNPSR1ALDH1A1LMNAGAA

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 8 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
EP-1133229-A1 FUNGICIDES CONTAINING PYRROLIDONES AS THEIR ACTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 2001-09-19 EP claimed
WO-2000030445-A1 FUNGICIDES CONTAINING PYRROLIDONES AS THEIR ACTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 2000-06-02 WO 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
EP-1133229-A1 FUNGICIDES CONTAINING PYRROLIDONES AS THEIR ACTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 2001-09-19 EP disclosed
WO-2000030445-A1 FUNGICIDES CONTAINING PYRROLIDONES AS THEIR ACTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 2000-06-02 WO disclosed