SCHEMBL4664006

SCHEMBL4664006

CC(=O)NCc1ncc(C)s1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
PDE10A Q9Y233 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TRPM5 Q9NZQ8 1/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
VHL P40337 1/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALOX15 P16050 1/20 0.40
NOS1 P29475 1/20 0.39
HDAC6 Q9UBN7 1/20 0.38
SLC6A3 Q01959 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
SMYD3 Q9H7B4 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
SCHEMBL9298086 0.81 HDAC6 (0.46) NPSR1SMN1; SMN2RAB9ANPC1VHL
SCHEMBL9297727 0.76 HDAC6 (0.42) NPSR1SMN1; SMN2RAB9ANPC1VHL
SCHEMBL6096301 0.76 NPSR1 (0.39) NPSR1RAB9ANPC1VHLHDAC6
SCHEMBL2710573 0.75
SCHEMBL5204666 0.74 ERCC1 (0.47) SMN1; SMN2TRPM5RAB9ANPC1MEN1
SCHEMBL8052844 0.73 TRPM5 (0.44) PDE10ASMN1; SMN2TRPM5RAB9ANPC1
SCHEMBL3509510 0.73 HDAC6 (0.47) PDE10ASMN1; SMN2RAB9AGAAKMT2A
SCHEMBL6199061 0.72 SLC6A3 (0.44) SMN1; SMN2TRPM5RAB9ANPC1GAA
SCHEMBL2259175 0.72 TRPM5 (0.43) PDE10ASMN1; SMN2TRPM5RAB9ANPC1
SCHEMBL4961811 0.71 ALDH1A1 (0.44) NPSR1SMN1; SMN2RAB9ANPC1GAA

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-2007717-A1 NOVEL SULFONAMIDE COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2008-12-31 EP claimed
WO-2007116374-A1 NOVEL SULFONAMIDE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2007-10-18 WO claimed