SCHEMBL17060522

SCHEMBL17060522

O=[C]c1ccc2[nH]c(=O)[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.46
PKM P14618 2/20 0.46
PDE3B Q13370 2/20 0.45
PDE3A Q14432 2/20 0.45
GRIA1 P42261 3/20 0.42
CACNG8 Q8WXS5 3/20 0.42
MAPT P10636 3/20 0.40
KDM4E B2RXH2 3/20 0.39
MAPK1 P28482 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
GRIN1 Q05586 2/20 0.38
ALDH1A1 P00352 1/20 0.38
ATM Q13315 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 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
SCHEMBL1796589 0.81 NOS3 (0.53) GAAPKMPDE3BPDE3AGRIA1
SCHEMBL19250593 0.80 CA12 (0.51) GAAPKMPDE3BPDE3AKDM4E
SCHEMBL172143 0.73 MAPT (0.54) GAAPKMPDE3BPDE3AGRIA1
SCHEMBL7294010 0.69 CA12 (0.56) PKMPDE3BPDE3AMAPTMAPK1
SCHEMBL3348374 0.68 GAA (0.48) GAAPKMPDE3BPDE3AGRIA1
SCHEMBL3226331 0.68 PDE3B (0.50) GAAPKMPDE3BPDE3AGRIA1
SCHEMBL13293335 0.68 GAA (0.48) GAAPKMPDE3BPDE3AGRIA1
SCHEMBL1048084 0.68 GAA (0.48) GAAPKMPDE3BPDE3AGRIA1
SCHEMBL18072323 0.68 GAA (0.48) GAAPKMPDE3BPDE3AGRIA1
SCHEMBL92048 0.68 GAA (0.53) GAAPKMPDE3BPDE3AGRIA1

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-2915842-A1 Oxygen scavenging composition for plastic material Clariant International Ltd. (CH) 2015-09-09 EP disclosed