SCHEMBL2652222

SCHEMBL2652222

CCCCN(C(=O)Nc1nccs1)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 1/20 0.45
CYP2C9 P11712 1/20 0.45
ADORA2A P29274 1/20 0.45
GAA P10253 2/20 0.44
NFKB1 P19838 1/20 0.44
AGTR1 P30556 1/20 0.44
HTT P42858 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
MGAM O43451 1/20 0.43

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
SCHEMBL1565010 0.97 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AL3MBTL1TP53
SCHEMBL2653273 0.83 MAPT (0.50) SMN1; SMN2NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL1565635 0.82 NPC1 (0.50) SMN1; SMN2NPC1RAB9AL3MBTL1TP53
SCHEMBL2653444 0.78 MAPK1 (0.57) SMN1; SMN2NPC1RAB9AL3MBTL1HPGD
SCHEMBL1565611 0.76 EPHX2 (0.52) SMN1; SMN2NPC1RAB9AL3MBTL1TP53
SCHEMBL1565387 0.76 MAPT (0.52) SMN1; SMN2NPC1RAB9AL3MBTL1TP53
SCHEMBL2652656 0.75 KMT2A (0.51) SMN1; SMN2NPC1RAB9AL3MBTL1TP53
SCHEMBL7130168 0.71 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AL3MBTL1TP53
SCHEMBL1565315 0.71 GAA (0.49) SMN1; SMN2NPC1RAB9AL3MBTL1TP53
SCHEMBL27760710 0.70 NPC1 (0.59) SMN1; SMN2NPC1RAB9AHPGDALOX15

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-1458382-A1 AMIDE DERIVATIVES AS GK ACTIVATORS NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
WO-2003055482-A1 AMIDE DERIVATIVES AS GK ACTIVATORS NOVO NORDISK A/S (DK) 2003-07-10 WO disclosed