SCHEMBL5309481

SCHEMBL5309481

O=C(O)CNC(=O)c1c(O)c2cc(I)ccc2[nH]c1=O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 3/20 0.57
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
RXFP1 Q9HBX9 1/20 0.52
KDM4E B2RXH2 5/20 0.50
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
PKM P14618 1/20 0.49
USP2 O75604 1/20 0.45
KDM5A P29375 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
GSK3B P49841 3/20 0.42
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 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
SCHEMBL5311454 0.87 MEN1 (0.54) SERPINE1MEN1KMT2ARXFP1KDM4E
SCHEMBL5312360 0.85 GSK3B (0.57) SERPINE1MEN1KMT2ARXFP1KDM4E
SCHEMBL5309495 0.85 MEN1 (0.52) SERPINE1MEN1KMT2ARXFP1KDM4E
SCHEMBL5312063 0.85 GSK3B (0.57) SERPINE1MEN1KMT2ARXFP1KDM4E
SCHEMBL5305369 0.85 KDM4E (0.54) MEN1KMT2ARXFP1KDM4ERAB9A
SCHEMBL821620 0.82 KMT2A (0.76) MEN1KMT2ARXFP1KDM4ERAB9A
SCHEMBL5308223 0.78 MEN1 (0.52) MEN1KMT2ARXFP1KDM4ERAB9A
SCHEMBL5308306 0.78 KDM4E (0.53) MEN1KMT2ARXFP1KDM4ERAB9A
SCHEMBL6046700 0.77 SERPINE1 (0.47) SERPINE1MEN1KMT2AKDM4ERAB9A
SCHEMBL16651672 0.76 MEN1 (0.50) SERPINE1MEN1KMT2AKDM4ERAB9A

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
WO-2007038571-A2 PROLYL HYDROXYLASE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-05 WO claimed
WO-2007038571-A2 PROLYL HYDROXYLASE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-05 WO disclosed