SCHEMBL29989253

SCHEMBL29989253

O=C(N[C@@H](Cc1ncccn1)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 3/20 0.58
TP53 P04637 3/20 0.58
MDM2 Q00987 6/20 0.50
CASP3 P42574 2/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
KMT2A Q03164 2/20 0.47
SLC17A5 Q9NRA2 1/20 0.47

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
SCHEMBL30069011 0.89 MDM4 (0.56) MDM4TP53MDM2CASP3HDAC1
SCHEMBL119547 0.89 MDM4 (0.56) MDM4TP53MDM2CASP3HDAC1
SCHEMBL29907962 0.89 MDM4 (0.56) MDM4TP53MDM2CASP3HDAC1
SCHEMBL3725839 0.89 MDM4 (0.56) MDM4TP53MDM2CASP3HDAC1
SCHEMBL29401284 0.89 MDM4 (0.56) MDM4TP53MDM2CASP3HDAC1
SCHEMBL31694964 0.89 MDM4 (0.56) MDM4TP53MDM2CASP3HDAC1
SCHEMBL799781 0.89 MDM4 (0.56) MDM4TP53MDM2CASP3HDAC1
SCHEMBL15660130 0.86 MDM4 (0.58) MDM4TP53MDM2CASP3KMT2A
SCHEMBL15660134 0.86 MDM4 (0.58) MDM4TP53MDM2CASP3KMT2A
SCHEMBL25354133 0.86 MDM4 (0.52) MDM4TP53MDM2CASP3HDAC1

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-2022234867-A1 SULFONAMIDE HAVING MMP 7-INHIBITING ACTION 大正製薬株式会社 2022-11-10 WO disclosed