SCHEMBL30693894

SCHEMBL30693894

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

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.51
▸ TLR2 O60603 3/20 0.49
▸ TPSAB1 Q15661 1/20 0.46
▸ MDM2 Q00987 2/20 0.45

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
SCHEMBL31745023 0.97 KMT2A (0.49) KMT2ATLR2TPSAB1MDM2
SCHEMBL29589201 0.91 KMT2A (0.54) KMT2ATLR2MDM2
SCHEMBL29432853 0.91 KMT2A (0.54) KMT2ATLR2MDM2
SCHEMBL29154138 0.91 KMT2A (0.54) KMT2ATLR2MDM2
SCHEMBL30674398 0.91 KMT2A (0.54) KMT2ATLR2MDM2
SCHEMBL12971617 0.91 KMT2A (0.61) KMT2ATLR2MDM2
SCHEMBL120403 0.88 KMT2A (0.53) KMT2ATLR2MDM2
SCHEMBL15521165 0.88 KMT2A (0.53) KMT2ATLR2MDM2
SCHEMBL29875729 0.88 KMT2A (0.53) KMT2ATLR2MDM2
SCHEMBL29514568 0.88 KMT2A (0.53) KMT2ATLR2MDM2

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-4276096-A1 NOVEL GUANIDINE DERIVATIVE AND METHOD FOR PRODUCING SAME PeptiDream Inc. (JP) 2023-11-15 — — EP disclosed
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