SCHEMBL5494045

SCHEMBL5494045

CC(C)(C)CCCC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 14/20 0.77
CYP2C9 P11712 1/20 0.77
CYP2C19 P33261 2/20 0.73
AGER Q15109 1/20 0.62
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CYP3A4 P08684 1/20 0.55
ADORA1 P30542 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
LMNA P02545 1/20 0.53
RECQL P46063 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL3194666 0.86 ADORA2A (0.75) ADORA2ACYP2C9CYP2C19AGERNPC1
SCHEMBL4293906 0.84 ADORA2A (1.00) ADORA2ACYP2C9CYP2C19AGERNPC1
SCHEMBL4286535 0.80 ADORA2A (0.76) ADORA2ACYP2C9CYP2C19AGERNPC1
SCHEMBL8298569 0.79 AGER (0.73) ADORA2ACYP2C9CYP2C19AGERNPC1
SCHEMBL4290155 0.79 ADORA2A (1.00) ADORA2ACYP2C9CYP2C19AGERNPC1
SCHEMBL4293169 0.79 POLB (0.72) ADORA2ACYP2C9CYP2C19AGERNPC1
SCHEMBL5493836 0.78 AGER (0.64) ADORA2ACYP2C9CYP2C19AGERNPC1
SCHEMBL16603980 0.78 AGER (1.00) ADORA2ACYP2C9CYP2C19AGERNPC1
SCHEMBL4296490 0.77 AGER (0.70) ADORA2ACYP2C9CYP2C19AGERNPC1
SCHEMBL4286191 0.77 ADORA2A (1.00) ADORA2ACYP2C9CYP2C19AGERNPC1

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-1682129-B1 N-THIAZOL-2-YL-BENZAMIDE DERIVATIVES LUNDBECK & CO AS H (DK) 2007-02-21 EP claimed