SCHEMBL8090609

SCHEMBL8090609

O=c1[nH]cc(-c2ccccc2)c(=O)n1[SeH]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 2/20 0.47
CDK2 P24941 2/20 0.47
PARP1 P09874 1/20 0.47
ALDH1A1 P00352 1/20 0.46
FPR1 P21462 1/20 0.43
FPR2 P25090 1/20 0.43
FEN1 P39748 1/20 0.41
CLK4 Q9HAZ1 3/20 0.39
MET P08581 2/20 0.39
RET P07949 1/20 0.39
LTK P29376 1/20 0.39
GRK5 P34947 1/20 0.39
CDK8 P49336 1/20 0.39
RPS6KA3 P51812 1/20 0.39
MST1R Q04912 1/20 0.39
TYRO3 Q06418 1/20 0.39
DYRK1A Q13627 1/20 0.39
LRRK2 Q5S007 1/20 0.39
ALK Q9UM73 1/20 0.39
DYRK1B Q9Y463 1/20 0.39

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
SCHEMBL16652420 0.78 CCNE1 (0.47) CCNE1CDK2PARP1ALDH1A1FPR1
SCHEMBL15978138 0.73 FPR1 (0.51) CCNE1CDK2PARP1ALDH1A1FPR1
SCHEMBL11304106 0.68 NPC1 (0.56) CCNE1CDK2PARP1ALDH1A1RET
SCHEMBL23402400 0.65 MEN1 (0.47) PARP1ALDH1A1MEN1GAAKMT2A
SCHEMBL4208272 0.64 PARP1 (1.00) CDK2PARP1ALDH1A1CLK4CDK8
SCHEMBL564994 0.64 GAA (0.78) MEN1GAAKMT2ANPC1MAPT
SCHEMBL8987328 0.64 PARP1 (0.48) CCNE1CDK2PARP1ALDH1A1MEN1
Phosphine SCHEMBL27556263 0.64 ALDH1A1 (0.58) ALDH1A1MGLLHDAC4HDAC2HDAC8
SCHEMBL3485241 0.63 PARP1 (0.47) CCNE1CDK2PARP1ALDH1A1CLK4
SCHEMBL21563888 0.63 PARP1 (0.52) CCNE1CDK2PARP1ALDH1A1CLK4

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-0725641-B1 NOVEL INHIBITORS OF URIDINE PHOSPHORYLASE (UrdPase) AND DIHYDROURACIL DEHYDROGENASE (DHUDase) EL KOUNI MAHMOUD H (US) 2000-12-13 EP claimed