SCHEMBL15775396

SCHEMBL15775396

NC(=O)c1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.68
PDCD1 Q15116 1/20 0.68
CD274 Q9NZQ7 1/20 0.68
RXFP1 Q9HBX9 8/20 0.64
SIRT2 Q8IXJ6 2/20 0.56
PPARG P37231 2/20 0.55
PPARD Q03181 2/20 0.55
PPARA Q07869 2/20 0.55
NR1H4 Q96RI1 2/20 0.55
KCNK2 O95069 1/20 0.55
KCNK10 P57789 1/20 0.55
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52

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
SCHEMBL29085612 0.88 RXFP1 (0.67) PTGS1PDCD1CD274RXFP1NPC1
SCHEMBL4766874 0.86 RXFP1 (0.73) PTGS1RXFP1
SCHEMBL30932523 0.86 RXFP1 (0.73) PTGS1RXFP1
SCHEMBL7302098 0.85 PDCD1 (0.68) PDCD1CD274PPARGPPARANR1H4
SCHEMBL14252955 0.84 PDCD1 (0.72) PDCD1CD274SIRT2NPC1RAB9A
SCHEMBL786246 0.84 PDCD1 (0.81) PDCD1CD274SIRT2NPC1RAB9A
SCHEMBL23258276 0.83 PDCD1 (0.74) PDCD1CD274SIRT2NPC1RAB9A
SCHEMBL15775304 0.83 PDCD1 (0.74) PDCD1CD274SIRT2KCNK2KCNK10
SCHEMBL28431283 0.82 PTGS1 (0.61) PTGS1RXFP1PPARGPPARDPPARA
SCHEMBL21446872 0.81 PDCD1 (1.00) PDCD1CD274SIRT2PPARGPPARD

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