SCHEMBL14708686

SCHEMBL14708686

Bc1cc(C)cc(OS(=O)(=O)c2ccc(N3CCNC3=O)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 11/20 0.46
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
F2 P00734 3/20 0.38
GAA P10253 1/20 0.38
SCN9A Q15858 1/20 0.36

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
SCHEMBL2304336 0.92 CYP1A1 (0.45) CYP1A1LMNASMN1; SMN2ALDH1A1F2
SCHEMBL14217380 0.87 CYP1A1 (0.42) CYP1A1LMNASMN1; SMN2ALDH1A1F2
SCHEMBL14217346 0.87 F2 (0.43) CYP1A1LMNASMN1; SMN2ALDH1A1F2
SCHEMBL14217369 0.86 CYP1A1 (0.53) CYP1A1LMNASMN1; SMN2ALDH1A1F2
SCHEMBL12353905 0.83 ALDH1A1 (0.51) CYP1A1LMNASMN1; SMN2ALDH1A1
SCHEMBL14217340 0.83 F2 (0.44) CYP1A1LMNASMN1; SMN2ALDH1A1F2
SCHEMBL2304867 0.83 CYP1A1 (0.44) CYP1A1LMNASMN1; SMN2ALDH1A1GAA
SCHEMBL2303056 0.83 LMNA (0.56) CYP1A1LMNASMN1; SMN2ALDH1A1GAA
SCHEMBL2235106 0.83 LMNA (0.56) CYP1A1LMNASMN1; SMN2ALDH1A1GAA
SCHEMBL2302728 0.82 CYP1A1 (0.58) CYP1A1LMNASMN1; SMN2GAA

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
WO-2013023274-A1 SUBSTITUTED 2-IMIDAZOLIDINONES AND 2-IMIDAZOLONES AND THEIR USE IN THE TREATMENT OF CANCER UNIVERSITE LAVAL (CA) 2013-02-21 WO disclosed