SCHEMBL29399772

SCHEMBL29399772

O=C(N[C@H](Cc1c[nH]cn1)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 3/20 0.54
▸ TP53 P04637 3/20 0.54
▸ MDM2 Q00987 7/20 0.49
▸ CASP3 P42574 2/20 0.48
▸ SLC17A5 Q9NRA2 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL1405816 1.00 MDM4 (0.54) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL29908063 1.00 MDM4 (0.54) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL1486208 1.00 MDM4 (0.54) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL29401938 1.00 MDM4 (0.54) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL1405811 1.00 MDM4 (0.54) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL29353891 1.00 MDM4 (0.54) MDM4TP53MDM2CASP3SLC17A5
Hydrochloric Acid SCHEMBL30912894 0.99 MDM4 (0.53) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL9596624 0.92 CASP3 (0.49) MDM4TP53MDM2CASP3KMT2A
SCHEMBL30523593 0.92 MDM4 (0.48) MDM4TP53MDM2CASP3
SCHEMBL30718996 0.91 PTPN1 (0.49) MDM4TP53MDM2

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-3432934-B1 PRODRUGS OF CYTOTOXIC AGENTS WITH ENZYMATICALLY CLEAVABLE GROUPS Bayer Pharma AG (DE) 2022-02-23 — — EP disclosed
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