SCHEMBL30242885

SCHEMBL30242885

O=C(NNC(=O)Oc1ccc([N+](=O)[O-])cc1)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.56
▸ EPHX2 P34913 1/20 0.47
▸ MGLL Q99685 2/20 0.44
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ FAAH O00519 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.41
▸ BCL9 O00512 1/20 0.40
▸ CTNNB1 P35222 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GAA P10253 2/20 0.39

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
SCHEMBL14685603 1.00 KMT2A (0.56) KMT2AEPHX2MGLLMAPTHTT
SCHEMBL3829326 0.89 MGLL (0.54) KMT2AEPHX2MGLLMAPTHTT
SCHEMBL30355283 0.84 CASP3 (0.45) KMT2AEPHX2MGLLMAPTHTT
SCHEMBL7912741 0.84 KMT2A (0.53) KMT2AEPHX2MGLLMAPTHTT
SCHEMBL556964 0.83 KMT2A (0.49) KMT2AEPHX2MGLLMAPTHTT
SCHEMBL22960724 0.82 MDM4 (0.43) KMT2AMGLLBCL9CTNNB1ALDH1A1
SCHEMBL31476468 0.82 KMT2A (0.42) KMT2AEPHX2MGLLMAPTHTT
SCHEMBL3255050 0.81 KMT2A (0.41) KMT2AEPHX2MGLLMAPTHTT
SCHEMBL31548905 0.80 KMT2A (0.46) KMT2AEPHX2MGLLMAPTHTT
SCHEMBL31520512 0.80 CYP1A2 (0.43) KMT2AEPHX2MGLLMAPTHTT

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
US-20250035640-A1 METHODS AND COMPOSITIONS FOR EDMAN-LIKE REACTIONS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2025-01-30 — — US disclosed
WO-2023019163-A1 METHODS AND COMPOSITIONS FOR EDMAN-LIKE REACTIONS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-02-16 — — WO disclosed
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