SCHEMBL7888667

SCHEMBL7888667

Cc1cc(C)c(C2C(=O)N(C)N(C)C2=O)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.34
CCR6 P51684 1/20 0.34
MAPT P10636 3/20 0.33
NPSR1 Q6W5P4 2/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
DAO P14920 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ATAD2 Q6PL18 1/20 0.31
ALDH1A1 P00352 2/20 0.31

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
SCHEMBL431297 0.77 GRIN2D (0.34) HSP90AA1CCR6MAPTGRIN2DGRIN3B
Cga-271312 SCHEMBL6801995 0.76 HRH3 (0.37) MAPTNPSR1ALDH1A1GAAMEN1
SCHEMBL9368569 0.75 NPSR1 (0.32) MAPTNPSR1HSD17B10
SCHEMBL6810634 0.72 SMN1; SMN2 (0.41) MAPTALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL986581 0.71 UGT2B17 (0.33) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5654476 0.70
SCHEMBL14335735 0.70 ALDH1A1 (0.32) MAPTALDH1A1
SCHEMBL9368320 0.70 POLB (0.40) NPSR1GAA
SCHEMBL11804017 0.70 PBRM1 (0.37) HSP90AA1MAPTGRIN2DGRIN3BGRIN1
SCHEMBL11808453 0.70 MEN1 (0.35) MAPTGRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0577629-B1 NOVEL HERBICIDALLY, ACARICIDALLY AND INSECTICIDALLY ACTIVE COMPOUNDS CIBA GEIGY AG (CH) 1996-06-26 EP claimed
US-5506193-A Herbicidally, acaricidally and insecticidally active pyrazolidine compounds CIBA-GEIGY CORPORATION (US) 1996-04-09 US claimed
EP-0577629-A1 NOVEL HERBICIDALLY, ACARICIDALLY AND INSECTICIDALLY ACTIVE COMPOUNDS. CIBA GEIGY AG (CH) 1994-01-12 EP claimed
WO-1992016510-A1 NOVEL HERBICIDALLY, ACARICIDALLY AND INSECTICIDALLY ACTIVE COMPOUNDS CIBA-GEIGY AG (CH) 1992-10-01 WO claimed
US-6180568-B1 HERBICIDES, MITICIDES, INSECTICIDES OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 2001-01-30 US disclosed
EP-1026159-A1 4-ARYL-4-SUBSTITUTED PYRAZOLIDINE-3,5-DIONE DERIVATIVES OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 2000-08-09 EP disclosed
EP-0577629-B1 NOVEL HERBICIDALLY, ACARICIDALLY AND INSECTICIDALLY ACTIVE COMPOUNDS CIBA GEIGY AG (CH) 1996-06-26 EP disclosed
US-5506193-A Herbicidally, acaricidally and insecticidally active pyrazolidine compounds CIBA-GEIGY CORPORATION (US) 1996-04-09 US disclosed
US-5494890-A FOR CONTROLLING WEEDS, INSECTS, MITES CIBA-GEIGY CORPORATION (US) 1996-02-27 US disclosed
EP-0577629-A1 NOVEL HERBICIDALLY, ACARICIDALLY AND INSECTICIDALLY ACTIVE COMPOUNDS. CIBA GEIGY AG (CH) 1994-01-12 EP disclosed
WO-1992016510-A1 NOVEL HERBICIDALLY, ACARICIDALLY AND INSECTICIDALLY ACTIVE COMPOUNDS CIBA-GEIGY AG (CH) 1992-10-01 WO disclosed