SCHEMBL5596770

SCHEMBL5596770

N#CCc1nc(N2CCOCC2)ncc1-c1nc2ccccc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
GHSR Q92847 2/20 0.44
HCAR1 Q9BXC0 2/20 0.44
ALDH1A1 P00352 6/20 0.41
PKM P14618 3/20 0.41
ILK Q13418 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
MAPT P10636 1/20 0.41
CYP1A2 P05177 4/20 0.41
CASP1 P29466 4/20 0.41
CASP7 P55210 4/20 0.41
HSD17B10 Q99714 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 3/20 0.41
CYP3A4 P08684 2/20 0.41
MAPK1 P28482 2/20 0.41

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
SCHEMBL7396523 0.91 ILK (0.41) SMN1; SMN2NPC1RAB9AALDH1A1ILK
SCHEMBL7393436 0.88 ILK (0.44) SMN1; SMN2NPC1RAB9AALDH1A1ILK
SCHEMBL7704510 0.88 HTR3A (0.46) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL5596381 0.83 TSHR (0.41) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL4950093 0.81 LTA4H (0.50) SMN1; SMN2RAB9AGHSRHCAR1ALDH1A1
SCHEMBL4952153 0.76 MAPK8 (0.49) SMN1; SMN2RAB9AGHSRHCAR1ALDH1A1
SCHEMBL5596710 0.74 ALDH1A1 (0.47) SMN1; SMN2NPC1RAB9AALDH1A1PKM
SCHEMBL5103637 0.74 ALDH1A1 (0.46) SMN1; SMN2NPC1RAB9AALDH1A1ILK
SCHEMBL5975398 0.73 IRAK4 (0.37) SMN1; SMN2ALDH1A1MAPTHSD17B10MEN1
SCHEMBL14921310 0.72 IRAK4 (0.61) IRAK4

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-1696909-B1 BENZOTHIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES SERONO LAB (CH) 2007-11-14 EP claimed