SCHEMBL4390344

SCHEMBL4390344

COc1cccc2c1N(C1CCN(S(=O)(=O)c3ccc4ncc(C)cc4c3)CC1)C(=O)OC2

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.55
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 3/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 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
SCHEMBL4399483 0.90 HTR6 (0.61) HTR6MAPTLMNAMEN1KMT2A
SCHEMBL4393846 0.89 HTR6 (0.57) HTR6SMN1; SMN2TP53MAPT
SCHEMBL3156792 0.85 HTR6 (0.64) HTR6LMNAMEN1KMT2A
SCHEMBL4399061 0.85 HTR6 (0.56) HTR6LMNA
SCHEMBL3147607 0.85 HTR6 (0.62) HTR6SMN1; SMN2LMNA
SCHEMBL3152766 0.82 HTR6 (0.56) HTR6SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL3153572 0.82 HTR6 (0.62) HTR6SMN1; SMN2MAPTLMNAMEN1
SCHEMBL4398501 0.82 HTR6 (0.46) HTR6MAPTLMNAMEN1KMT2A
SCHEMBL4394298 0.81 HTR6 (0.44) HTR6SMN1; SMN2TP53MAPTLMNA
SCHEMBL4392195 0.80 HTR6 (0.44) HTR6MAPTLMNAMEN1KMT2A

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
EP-1648886-B1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS ESTEVE LABOR DR (ES) 2009-12-09 EP claimed