SCHEMBL9752071

SCHEMBL9752071

O=Cc1ccc(Oc2ncc(C(F)(F)F)cc2F)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.52
CASP6 P55212 1/20 0.52
ALDH1A1 P00352 5/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
SMN1; SMN2 Q16637 6/20 0.45
KDM4E B2RXH2 2/20 0.44
SCN9A Q15858 1/20 0.44
LMNA P02545 7/20 0.43
HTT P42858 3/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
XBP1 P17861 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.40
LIPE Q05469 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
SCHEMBL7945622 0.85 SMN1; SMN2 (0.62) POLBCASP6ALDH1A1SMN1; SMN2KDM4E
SCHEMBL9752087 0.81 SCN9A (0.48) SMN1; SMN2KDM4ESCN9ALMNAMAPT
SCHEMBL9752086 0.81 SCN9A (0.48) SMN1; SMN2KDM4ESCN9ALMNAMAPT
SCHEMBL9587283 0.81 RAB9A (0.52) ALDH1A1SMN1; SMN2SCN9ALMNAHTT
SCHEMBL30879505 0.78 KIF11 (0.44) POLBCASP6ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL876197 0.77 ALDH1A1 (0.65) POLBALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL876592 0.77 ALDH1A1 (0.59) POLBCASP6ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL875765 0.76 ALDH1A1 (0.41) POLBCASP6ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL4824833 0.75 ALDH1A1 (0.63) POLBALDH1A1L3MBTL1KDM4ELMNA
SCHEMBL15814057 0.75 ALDH1A1 (0.49) POLBCASP6ALDH1A1L3MBTL1SMN1; SMN2

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
WO-1991015123-A1 SUBSTITUTED CYCLOHEXANEDIONES AND THEIR HERBICIDAL USES DOWELANCO (US) 1991-10-17 WO disclosed
EP-0449385-A2 Substituted cyclohexanediones and their herbicidal uses DOWELANCO (US) 1991-10-02 EP disclosed
US-4983211-A Substituted cyclohexanediones and their herbicidal use DOWELANCO (US) 1991-01-08 US disclosed