SCHEMBL7645474

SCHEMBL7645474

O=C(O)n1c(=O)n(C(=O)O)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.48
KDM4E B2RXH2 2/20 0.46
ASAH1 Q13510 1/20 0.46
P2RX4 Q99571 1/20 0.44
POLB P06746 3/20 0.41
IDO1 P14902 1/20 0.40
GLA P06280 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
FABP3 P05413 1/20 0.36
FABP4 P15090 1/20 0.36
FABP5 Q01469 1/20 0.36
DAO P14920 1/20 0.36
EGFR P00533 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL3300277 0.85 ALDH1A1 (0.49) KDM4EPOLBGLASMN1; SMN2EGFR
SCHEMBL7058470 0.83 GSK3A (0.46) APEX1KDM4EGSK3AGSK3BGAA
SCHEMBL3301756 0.80 TMEM97 (0.51) APEX1GAA
SCHEMBL3300241 0.79 HTR4 (0.48)
SCHEMBL3314327 0.78 POLB (0.61) APEX1KDM4EASAH1P2RX4POLB
SCHEMBL7597147 0.77 POLB (0.43) APEX1KDM4EASAH1P2RX4POLB
SCHEMBL2267441 0.76 KDM4E (0.47) APEX1KDM4EPOLBSMN1; SMN2GAA
SCHEMBL8947389 0.75 HTR4 (0.41) KDM4EGLAGAA
SCHEMBL8947427 0.75 KDM4E (0.54) KDM4E
SCHEMBL1180653 0.75 POLB (0.64) KDM4EP2RX4POLBGLASMN1; SMN2

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-2002030886-A2 HETEROCYCLIC ANGIOGENESIS INHIBITORS MATTHEWS BARRY R (AU) 2002-04-18 WO disclosed