SCHEMBL9653284

SCHEMBL9653284

CC(C)(C)C(=O)/C(C#N)=C(\O)c1ccc(Cl)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.55
GABRG2 P18507 6/20 0.55
GABRB3 P28472 6/20 0.55
GABRB2 P47870 4/20 0.55
GABRB1 P18505 2/20 0.48
TSHR P16473 1/20 0.47
CASP1 P29466 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
SRD5A2 P31213 1/20 0.40
MAPT P10636 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
SCHEMBL9653290 1.00 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL9650680 0.99 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL9650731 0.87 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL9650736 0.87 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL9653800 0.84 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL9653790 0.84 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL9650686 0.83 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL9650676 0.83 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL9653708 0.82 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL9653703 0.82 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRB2GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0213892-B1 HERBICIDALLY ACTIVE ENOLS ROHM AND HAAS COMPANY (US) 1992-03-25 EP disclosed
US-4781750-A Herbicidally active enols ROHM AND HAAS COMPANY (US) 1988-11-01 US disclosed
EP-0213892-A2 Herbicidally active enols ROHM AND HAAS COMPANY (US) 1987-03-11 EP disclosed