SCHEMBL3410199

SCHEMBL3410199

Cn1nc(O)cc1C(F)(F)F.Cn1nc(Oc2nccs2)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SCN9A Q15858 2/20 0.35
CHRM5 P08912 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL3408023 0.92 PKM (0.48) PKMNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL1241627 0.75 PKM (0.47) PKMNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL3408610 0.68 PKM (0.47) PKMNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL3414853 0.68 PKM (0.44) PKMNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL3382600 0.66 PKM (0.57) PKMNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL3413010 0.65 PKM (0.41) PKMNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL3408665 0.65 PKM (0.44) PKMNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL8111889 0.64 PKM (0.55) PKMNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL20798394 0.62 PKM (1.00) PKMNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL10473323 0.62 PKM (0.35) PKMNPC1RAB9AMAPTSMN1; SMN2

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-2262794-A1 SULFONAMIDE COMPOUNDS AND THEIR USE AS FUNGICIDE BASF SE (DE) 2010-12-22 EP disclosed
WO-2009103650-A1 SULFONAMIDE COMPOUNDS AND THEIR USE AS FUNGICIDE BASF SE (DE) 2009-08-27 WO disclosed