SCHEMBL6090782

SCHEMBL6090782

CCn1nc(C(F)(F)F)nc1S(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.36
PTGS1 P23219 3/20 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
SCHEMBL6089921 0.87 MITF (0.36) PTGS2PTGS1MITFALPLPOLB
SCHEMBL6092618 0.77 MITF (0.49) PTGS2PTGS1MITFALPLPOLB
SCHEMBL6091209 0.72 PTGS1 (0.32) PTGS2PTGS1MITFALPLPOLB
SCHEMBL17066909 0.72 CCR1 (0.36)
SCHEMBL769175 0.72
SCHEMBL22143157 0.71 HTT (0.32) HTT
SCHEMBL22143181 0.63 NR1H3 (0.39) PTGS2PTGS1MAPT
SCHEMBL25289845 0.62 MAPT (0.46) POLBMAPTHTTSMN1; SMN2
SCHEMBL25247969 0.62 NR1H3 (0.58) MAPTHTT
SCHEMBL24185801 0.62 NR1H3 (0.41) PTGS2PTGS1

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