SCHEMBL29679017

SCHEMBL29679017

O=C(N[C@@H](CCCCNC(=O)c1cccnc1)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.50
▸ MDM2 Q00987 5/20 0.49
▸ KMT2A Q03164 1/20 0.48
▸ FOLH1 Q04609 1/20 0.48
▸ MDM4 O15151 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ TLR2 O60603 2/20 0.46

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
SCHEMBL800042 1.00 EPHX2 (0.50) EPHX2MDM2KMT2AFOLH1MDM4
SCHEMBL3724258 1.00 EPHX2 (0.50) EPHX2MDM2KMT2AFOLH1MDM4
SCHEMBL29401644 0.91 KMT2A (0.55) MDM2KMT2AMDM4TP53TLR2
SCHEMBL29359997 0.85 KMT2A (0.66) MDM2KMT2AFOLH1MDM4TP53
SCHEMBL178698 0.85 KMT2A (0.66) MDM2KMT2AFOLH1MDM4TP53
SCHEMBL29528567 0.85 KMT2A (0.66) MDM2KMT2AFOLH1MDM4TP53
SCHEMBL260631 0.85 KMT2A (0.66) MDM2KMT2AFOLH1MDM4TP53
SCHEMBL29401258 0.85 KMT2A (0.66) MDM2KMT2AFOLH1MDM4TP53
SCHEMBL178733 0.85 KMT2A (0.66) MDM2KMT2AFOLH1MDM4TP53
SCHEMBL29679153 0.84 MDM2 (0.49) MDM2KMT2AMDM4TP53TLR2

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-4003959-A1 TARGETED RADIOPHARMACEUTICALS FOR THE DIAGNOSIS AND TREATMENT OF PROSTATE CANCER Bayer AS (NO) 2022-06-01 — — EP disclosed
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