SCHEMBL8183276

SCHEMBL8183276

CCn1ncc(C(=O)c2ccc(S(C)(=O)=O)c(F)c2C)c1O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
RAB9A P51151 2/20 0.35
PRKDC P78527 1/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
PIK3CA P42336 1/20 0.32

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
SCHEMBL10872717 0.89 LMNA (0.38) LMNASMN1; SMN2RAB9AALDH1A1GAA
SCHEMBL8375883 0.87 SMN1; SMN2 (0.37) LMNASMN1; SMN2RAB9AALDH1A1GAA
SCHEMBL12724679 0.87 LMNA (0.36) LMNASMN1; SMN2RAB9AALDH1A1GAA
SCHEMBL7951287 0.86 LMNA (0.38) LMNASMN1; SMN2RAB9AALDH1A1GAA
SCHEMBL1882413 0.85 LMNA (0.35) LMNASMN1; SMN2RAB9AALDH1A1GAA
SCHEMBL7939787 0.85 PTGS2 (0.38) SMN1; SMN2RAB9AALDH1A1CYP1A2
SCHEMBL8177016 0.84 PRKDC (0.36) PRKDCPIK3CA
SCHEMBL1880294 0.84 LMNA (0.37) LMNASMN1; SMN2RAB9AALDH1A1GAA
SCHEMBL9448454 0.84 SMN1; SMN2 (0.40) LMNASMN1; SMN2RAB9AALDH1A1GAA
SCHEMBL7949472 0.83 LMNA (0.35) LMNASMN1; SMN2RAB9AALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6140271-A 1-ETHYL-4-(2-METHYL-3-(3-OXETANYLOXY)-4-METHYLSULFONYLBENZOYL) -5-HYDROXYPYRAZOLE, FOR EXAMPLE AND BENZOIC ACID CHEMICAL INTERMEDIATES; POSTEMERGENCE HERBICIDES DOW AGROSCIENCES LLC (US) 2000-10-31 US disclosed