SCHEMBL4771732

SCHEMBL4771732

CC(=O)NCc1nnc(C)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
NPSR1 Q6W5P4 1/20 0.43
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.37
SETDB1 Q15047 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
GLS O94925 1/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
APEX1 P27695 1/20 0.37
RECQL P46063 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
OGA O60502 1/20 0.36

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
SCHEMBL6936153 0.86 MME (0.48) MMESMN1; SMN2NPC1RAB9ATP53
SCHEMBL8630597 0.79 NPSR1 (0.42) SMN1; SMN2NPC1RAB9ANPSR1ALOX15
SCHEMBL22134467 0.75 ALDH1A1 (0.41) SMN1; SMN2NPC1RAB9ANPSR1ALOX15
SCHEMBL16373614 0.73
SCHEMBL4664006 0.70 NPSR1 (0.44) SMN1; SMN2NPC1RAB9ANPSR1ALOX15
SCHEMBL2258773 0.69 OGA (0.40) MMESMN1; SMN2NPC1RAB9ATP53
SCHEMBL21452365 0.69 OGA (0.44) MMESMN1; SMN2NPC1RAB9ATP53
SCHEMBL9781931 0.68 F2 (0.62) SMN1; SMN2NPC1RAB9ATP53L3MBTL1
SCHEMBL17788454 0.68 TRPM5 (0.38) MMESMN1; SMN2NPC1RAB9ATP53
SCHEMBL4324910 0.68

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 disclosed
WO-2007116374-A1 NOVEL SULFONAMIDE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2007-10-18 WO disclosed