SCHEMBL4016980

SCHEMBL4016980

Cc1cccc(S(=O)(=O)Oc2c(F)c(F)c(F)c(F)c2F)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.44
HTR6 P50406 2/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KAT6A Q92794 2/20 0.39
ACHE P22303 1/20 0.38
GPR17 Q13304 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
ALDH1A1 P00352 1/20 0.37
FBP1 P09467 1/20 0.37

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
SCHEMBL31039994 0.83 HTR6 (0.44) HTR6KMT2AMEN1KAT6AGPR17
SCHEMBL4565530 0.80 KAT6A (0.39) KMT2AMEN1KAT6AGPR17CA1
SCHEMBL952515 0.79 KEAP1 (0.45) KMT2AMEN1LMNAMAPTHTT
SCHEMBL4119819 0.78 TDP1 (0.48) HTR6KMT2AMAPTSMN1; SMN2CA1
SCHEMBL22829013 0.77 CA1 (0.38) HTR6SMN1; SMN2CA1CA2CA9
SCHEMBL27765108 0.77 CA2 (0.33) HTR6KAT6ACA1CA2CA9
SCHEMBL4010898 0.76 CA1 (0.34) F2HTR6KMT2AMEN1CA1
SCHEMBL31435685 0.76 KMT2A (0.53) F2HTR6KMT2AMEN1MAPT
SCHEMBL6113188 0.76 KMT2A (0.53) F2HTR6KMT2AMEN1MAPT
SCHEMBL4429067 0.76 F2 (0.56) F2HTR6KMT2AMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 EP disclosed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 WO disclosed