SCHEMBL8558924

SCHEMBL8558924

O=c1[nH]c2ccccc2n(C(F)(F)F)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PARP1 P09874 1/20 0.49
KDM4E B2RXH2 3/20 0.45
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
GRIA1 P42261 2/20 0.43
GRIA2 P42262 2/20 0.43
GRIA3 P42263 2/20 0.43
GRIA4 P48058 2/20 0.43
DAO P14920 1/20 0.43
POLB P06746 3/20 0.42
OPRM1 P35372 2/20 0.42
OPRD1 P41143 2/20 0.42
OPRK1 P41145 2/20 0.42

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
SCHEMBL8910894 0.84 PARP1 (0.47) MEN1KMT2APARP1KDM4EGRIN2D
SCHEMBL4147944 0.81 DAO (0.55) MEN1KMT2APARP1KDM4EDAO
SCHEMBL31236110 0.77 PARP1 (0.52) MEN1KMT2APARP1KDM4EGRIN2D
SCHEMBL29580191 0.73 PSMB8 (0.55) MEN1KMT2APARP1KDM4EGRIN2D
SCHEMBL22292519 0.73 PARP1 (0.52) MEN1KMT2APARP1KDM4EGRIN2D
SCHEMBL2639618 0.73 PARP1 (0.52) MEN1KMT2APARP1KDM4EGRIN2D
SCHEMBL4706735 0.73 PSMB8 (0.55) MEN1KMT2APARP1KDM4EGRIN2D
SCHEMBL7349965 0.73 DAO (0.66) MEN1KMT2APARP1KDM4EGRIN2D
SCHEMBL17874917 0.73 PARP1 (0.52) MEN1KMT2APARP1KDM4EGRIN2D
SCHEMBL29064867 0.72 GRIA1 (0.54) PARP1KDM4EGRIA1GRIA2GRIA3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0647137-A4 GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF. UNIV CALIFORNIA WEBER ECKARD (US) 1998-09-16 EP disclosed
EP-0647137-A1 GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-04-12 EP disclosed