SCHEMBL21987014

SCHEMBL21987014

O=C(O)c1cc(O)c2cc(Cc3ccccc3)ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 1/20 0.53
IGFBP5 P24593 6/20 0.52
IGFBP3 P17936 2/20 0.52
IDH1 O75874 1/20 0.47
HCAR2 Q8TDS4 1/20 0.47
KDM5B Q9UGL1 1/20 0.46
MPO P05164 1/20 0.44
ACMSD Q8TDX5 1/20 0.43
EGLN1 Q9GZT9 2/20 0.43
IP6K1 Q92551 1/20 0.43
IP6K3 Q96PC2 1/20 0.43
IP6K2 Q9UHH9 1/20 0.43
KLKB1 P03952 1/20 0.42
CTSB P07858 1/20 0.42
MMP9 P14780 1/20 0.42
DNMT1 P26358 1/20 0.42
DNMT3B Q9UBC3 1/20 0.42
DNMT3L Q9UJW3 1/20 0.42
DNMT3A Q9Y6K1 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
SCHEMBL2908197 0.82 ALDH1A1 (0.49) IGFBP5IGFBP3
SCHEMBL6080457 0.81 HCAR2 (0.46) HNF4AIGFBP5IGFBP3IDH1HCAR2
SCHEMBL2910287 0.78 MCL1 (0.55) IP6K1
Transtorine SCHEMBL22979 0.77 ALOX15 (0.60) IGFBP5IGFBP3ACMSD
Transtorine SCHEMBL17596601 0.77 ALOX15 (0.60) IGFBP5IGFBP3ACMSD
SCHEMBL6593358 0.77 KDM5B (0.55) HNF4AIDH1KDM5BMPOEGLN1
SCHEMBL2908447 0.76 IGFBP5 (0.43) IGFBP5IGFBP3
SCHEMBL975885 0.76 IGFBP5 (0.43) IGFBP5IGFBP3
Transtorine SCHEMBL1421892 0.76 ALOX15 (0.58) IGFBP5IGFBP3ACMSD
Transtorine SCHEMBL480985 0.76 ALOX15 (0.58) IGFBP5IGFBP3ACMSD

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-3659593-A1 TRMT2A INHIBITORS FOR USE IN THE TREATMENT OF POLYGLUTAMINE DISEASES Forschungszentrum Jülich GmbH/ Abteilung RP-PT (DE) 2020-06-03 EP disclosed