SCHEMBL6973972

SCHEMBL6973972

Cn1nc(-c2cc(Oc3nnc(C(F)(F)F)s3)c(Cl)cc2F)cc1O

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
SCN9A Q15858 1/20 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
SCHEMBL6962057 0.84
SCHEMBL6966063 0.76
SCHEMBL6973550 0.76 ALDH1A1 (0.32) ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL6937897 0.76 ALDH1A1 (0.31) ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL6962053 0.75
SCHEMBL2835942 0.67 BCAT1 (0.33)
SCHEMBL1700760 0.67 CYP1A2 (0.37) ALDH1A1SMN1; SMN2
SCHEMBL9404733 0.67 PPOX (0.48) ALDH1A1HPGD
SCHEMBL6932393 0.65 HSD11B1 (0.32) SCN9A
SCHEMBL27519042 0.64 ALDH1A1 (0.39) ALDH1A1SMN1; 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
EP-1074551-B1 Phenylpyrazoles with a herbicidal activity ISAGRO RICERCA SRL (IT) 2003-03-26 EP disclosed
US-6265351-B1 CONTROLLING WEEDS IN THE AGRONOMIC FIELD. ISAGRO RICERCA S.R.L. (IT) 2001-07-24 US disclosed
EP-1074551-A2 Phenylpyrazoles with a herbicidal activity Isagro Ricerca S.r.l. (IT) 2001-02-07 EP disclosed