SCHEMBL17715364

SCHEMBL17715364

NC(=O)Nc1ccc(-n2c3c(c4ccccc4c2=O)CNC3)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PEPD P12955 1/20 0.38
TP53 P04637 2/20 0.37
MAPK1 P28482 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 1/20 0.34
CASP3 P42574 2/20 0.33
CASP7 P55210 2/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33

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
SCHEMBL9923095 0.76 P2RY12 (0.53) MAPTKDM4EALDH1A1CASP3
SCHEMBL12161552 0.74 P2RY12 (0.44) MAPTKDM4ECA12CA1CA9
SCHEMBL5148489 0.67 HDAC1 (0.45) MAPTKDM4EGAAGFERPEPD
SCHEMBL9919110 0.66 ADORA3 (0.42) KDM4EGAAL3MBTL1TP53MAPK1
SCHEMBL6982187 0.63 GAA (0.59) MAPTKDM4EGAATP53CA12
SCHEMBL31078349 0.63 KDM4E (0.52) KDM4EL3MBTL1MAPK1HSD17B10
SCHEMBL11669959 0.63 KDM4E (0.52) KDM4EL3MBTL1MAPK1HSD17B10
SCHEMBL4956958 0.63 LMNA (0.72) MAPTGAATP53MAPK1ALDH1A1
Phenylurea SCHEMBL28313006 0.62 GAA (0.79) MAPTGAAGFERL3MBTL1PEPD
SCHEMBL28791705 0.62 ALDH1A1 (0.51) MAPTKDM4EGAAGFERPEPD

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-2314593-B1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARM INC (US) 2016-05-04 EP disclosed