SCHEMBL27296254

SCHEMBL27296254

O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccc(C(=O)Nc2ccc(C(=O)O)c(O)c2)cc1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.87
PKM P14618 1/20 0.87
SIRT6 Q8N6T7 2/20 0.70
KDM4E B2RXH2 1/20 0.60
MAPT P10636 1/20 0.60
MAPK1 P28482 1/20 0.60
ALOX15 P16050 1/20 0.56
PYGL P06737 2/20 0.54
TOP1 P11387 1/20 0.53
HPSE Q9Y251 2/20 0.52
SNCA P37840 1/20 0.51
NR1H4 Q96RI1 1/20 0.50
MITF O75030 1/20 0.50
CA12 O43570 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
TSHR P16473 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50

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
SCHEMBL30772317 1.00 KMT2A (0.87) KMT2APKMSIRT6KDM4EMAPT
Benzoylpas SCHEMBL563122 0.93 KMT2A (1.00) KMT2APKMSIRT6KDM4EMAPT
SCHEMBL7609498 0.92 KMT2A (0.75) KMT2APKMSIRT6KDM4EMAPT
SCHEMBL27379558 0.92 KMT2A (0.75) KMT2APKMSIRT6KDM4EMAPT
Benzoylpas SCHEMBL9770542 0.92 KMT2A (0.97) KMT2APKMSIRT6KDM4EMAPT
Benzoylpas SCHEMBL8748163 0.92 KMT2A (0.97) KMT2APKMSIRT6KDM4EMAPT
Benzoylpas SCHEMBL29353120 0.92 KMT2A (0.97) KMT2APKMSIRT6KDM4EMAPT
SCHEMBL3296397 0.91 KMT2A (0.83) KMT2APKMSIRT6KDM4EMAPT
SCHEMBL16592199 0.88 KMT2A (0.69) KMT2APKMSIRT6KDM4EMAPT
SCHEMBL15903931 0.88 KMT2A (0.69) KMT2APKMSIRT6KDM4EMAPT

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-2024039914-A1 SORBENTS FUNCTIONALIZED WITH LIGANDS HAVING AN AMINOSILICONE FUNCTIONAL GROUP GENERAL ELECTRIC TECHNOLOGY GMBH (CH) 2024-02-22 WO disclosed