SCHEMBL31520537

SCHEMBL31520537

O=C(N[C@@H](CCc1ccccc1)COC(=O)Oc1ccc([N+](=O)[O-])cc1)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HTR2A P28223 1/20 0.39
▸ CASP3 P42574 2/20 0.38
▸ CTSL P07711 5/20 0.38
▸ MDM2 Q00987 1/20 0.37

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
SCHEMBL31520542 0.91 KMT2A (0.40) KMT2AMEN1HTR2ACASP3
SCHEMBL31476468 0.91 KMT2A (0.42) KMT2AHTR2ACASP3MDM2
SCHEMBL31520512 0.88 CYP1A2 (0.43) KMT2AHTR2ACASP3
SCHEMBL31520535 0.86 HTR2A (0.42) KMT2AHTR2ACASP3
SCHEMBL31520517 0.85 HTR2A (0.39) KMT2AMEN1HTR2ACASP3MDM2
SCHEMBL31520531 0.85 HTR2A (0.41) KMT2AMEN1HTR2ACASP3MDM2
SCHEMBL31520523 0.85 HTR2A (0.39) KMT2AMEN1HTR2ACASP3MDM2
SCHEMBL31520507 0.84 MAPT (0.37) KMT2AHTR2ACASP3
SCHEMBL31520525 0.83 TLR2 (0.37) KMT2AHTR2ACASP3
SCHEMBL14600028 0.82 MGLL (0.40) KMT2AHTR2ACASP3MDM2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4732286-A2 COMPOSITIONS AND METHODS FOR ENCRYPTING, STORING, AND DECRYPTING INFORMATION IN OLIGOMERS Board of Regents, The University of Texas System (US) 2026-04-29 — — EP disclosed
WO-2025058677-A2 COMPOSITIONS AND METHODS FOR ENCRYPTING, STORING, AND DECRYPTING INFORMATION IN OLIGOMERS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2025-03-20 — — WO disclosed
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