SCHEMBL15775307

SCHEMBL15775307

COc1ccccc1C1=NC(=O)c2cccc(N)c2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 6/20 0.41
ALDH1A1 P00352 3/20 0.41
ADRA2B P18089 1/20 0.41
PTGS1 P23219 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
ADORA2A P29274 2/20 0.40
ADORA1 P30542 1/20 0.40
ACHE P22303 2/20 0.39
HSP90AA1 P07900 2/20 0.39
MEN1 O00255 1/20 0.38
FGB P02675 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
MAPK1 P28482 1/20 0.38
PPARG P37231 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 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
Bromide SCHEMBL15775497 0.99 UGCG (0.40) UGCGALDH1A1ADRA2BPTGS1TDP1
SCHEMBL15775407 0.80 CCNE2 (0.44) ALDH1A1TDP1PDCD1CD274MAPT
SCHEMBL4763654 0.79 ALDH1A1 (0.47) ALDH1A1TDP1PDCD1CD274MEN1
SCHEMBL15775665 0.79 ALDH1A1 (0.40) ALDH1A1ADORA2AADORA1MAPTRAB9A
Bromide SCHEMBL15776793 0.78 BCHE (0.35) ALDH1A1ADORA2AMEN1POLBMAPT
SCHEMBL15775346 0.78 ACHE (0.43) UGCGALDH1A1ACHEMAPTRAB9A
Bromide SCHEMBL15775416 0.77 ADORA1 (0.43) ALDH1A1ADORA2AADORA1MEN1POLB
SCHEMBL15775366 0.75 RAB9A (0.38) ALDH1A1CD274ADORA2AMEN1MAPT
Bromide SCHEMBL15775650 0.75 NOTUM (0.35)
Bromide SCHEMBL15775833 0.74 RXFP1 (0.34) ALDH1A1PTGS1ADORA2AADORA1MAPT

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
WO-2014087165-A1 TANKYRASE INHIBITORS UNIVERSITY OF BATH (GB) 2014-06-12 WO disclosed