SCHEMBL6091209

SCHEMBL6091209

CC(C)n1nc(C(F)(F)F)nc1S(C)(=O)=O

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.32
PTGS2 P35354 1/20 0.32
MITF O75030 1/20 0.31
ALPL P05186 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
APEX1 P27695 1/20 0.31
APOBEC3A P31941 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
APOBEC3G Q9HC16 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
SCHEMBL6092618 0.77 MITF (0.49) PTGS1PTGS2MITFALPLPOLB
SCHEMBL6090782 0.72 PTGS2 (0.36) PTGS1PTGS2MITFALPLPOLB
SCHEMBL15723779 0.72 ALDH1A1 (0.31)
SCHEMBL31624929 0.71 HTT (0.32) HTT
SCHEMBL13605202 0.71 ESR1 (0.31)
SCHEMBL6089921 0.70 MITF (0.36) PTGS1PTGS2MITFALPLPOLB
SCHEMBL6090787 0.68 BCHE (0.31)
SCHEMBL34461086 0.62 GLP1R (0.30)
SCHEMBL24185802 0.62 TMEM97 (0.39) PTGS2POLB
SCHEMBL19965871 0.60 ALDH1A1 (0.31)

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-2006099957-A1 INSECTICIDAL AND ACARICIDAL ANILINOTRIAZOLES BAYER CROPSCIENCE AG (DE) 2006-09-28 WO disclosed