SCHEMBL5500191

SCHEMBL5500191

CC(C)(C)CC(=O)Nc1ccc(OC(=O)Nc2nccs2)c(-c2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.58
ADORA1 P30542 8/20 0.58
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ADORA2B P29275 1/20 0.46
HPGD P15428 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
EGFR P00533 1/20 0.41
FGFR1 P11362 1/20 0.41
KDR P35968 1/20 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
SCHEMBL4285959 0.83 ADORA2A (0.73) ADORA2AADORA1MEN1KMT2AADORA2B
SCHEMBL5493995 0.74 ADORA2A (0.54) ADORA2AADORA1MEN1KMT2AADORA2B
SCHEMBL4287838 0.73 ADORA2A (1.00) ADORA2AADORA1ADORA2BRAB9ANPC1
SCHEMBL18969623 0.73 ADORA2A (0.67) ADORA2AADORA1MEN1KMT2AADORA2B
SCHEMBL3194666 0.72 ADORA2A (0.75) ADORA2AADORA1ADORA2BRAB9ANPC1
SCHEMBL4292883 0.72 ADORA2A (1.00) ADORA2AADORA1ADORA2BRAB9ANPC1
SCHEMBL4293175 0.71 ADORA2A (0.83) ADORA2AADORA1ADORA2BRAB9ANPC1
SCHEMBL4299463 0.71 ADORA2A (0.80) ADORA2AADORA1ADORA2BRAB9ANPC1
SCHEMBL27643438 0.71 ADORA2A (1.00) ADORA2AADORA1ADORA2BMAPT
SCHEMBL4288709 0.71 ADORA2A (0.78) ADORA2AADORA1ADORA2B

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