SCHEMBL4950482

SCHEMBL4950482

N#CCc1nc(OCc2cccc(Cn3ccnc3)c2)ncc1-c1nc2ccccc2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 4/20 0.42
FNTB P49356 4/20 0.42
PGGT1B P53609 4/20 0.42
CYP11B1 P15538 10/20 0.41
CYP11B2 P19099 9/20 0.41
CYP19A1 P11511 1/20 0.40
MGLL Q99685 1/20 0.39
KDM4E B2RXH2 2/20 0.38
S1PR2 O95136 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
GLA P06280 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL4949235 0.84 RAB9A (0.44) MGLLKDM4ES1PR2ALDH1A1GAA
SCHEMBL4952153 0.82 MAPK8 (0.49) MGLLKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL5033422 0.78 MAPK9 (0.47) KDM4ES1PR2ALDH1A1GAAHPGD
SCHEMBL4948638 0.77 MAPK9 (0.43) MGLLKDM4ES1PR2ALDH1A1GAA
SCHEMBL4949154 0.75 MKNK1 (0.47) KDM4ES1PR2ALDH1A1GAAHPGD
SCHEMBL3741823 0.75 MAPK10 (0.70) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL5042890 0.74 MAPK9 (0.46) MGLLKDM4ES1PR2ALDH1A1GAA
SCHEMBL5596710 0.74 ALDH1A1 (0.47) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL5033477 0.73 MAPK9 (0.45) KDM4ES1PR2ALDH1A1GAAHPGD
SCHEMBL3747871 0.73 MAPK9 (0.42) KDM4ES1PR2ALDH1A1GAAHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812072-B1 BENZOTHIAZOLE FORMULATIONS AND USE THEREOF ARES TRADING SA (CH) 2008-10-22 EP disclosed
EP-1812072-A2 BENZOTHIAZOLE FORMULATIONS AND USE THEREOF Ares Trading S.A. (CH) 2007-08-01 EP disclosed
WO-2006053882-A2 BENZOTHIAZOLE FORMULATIONS AND USE THEREOF ARES TRADING S.A. (CH) 2006-05-26 WO disclosed