SCHEMBL31349234

SCHEMBL31349234

CN(C)C(=O)c1ccc(N2CCN(Cc3ccc([N+](=O)[O-])o3)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 5/20 0.55
▸ SLC2A1 P11166 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MITF O75030 4/20 0.42
▸ MAPT P10636 4/20 0.42
▸ PAX8 Q06710 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ HTT P42858 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPK1 P28482 1/20 0.41

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
SCHEMBL31349289 0.88 POLB (0.58) POLBSLC2A1L3MBTL1MITFMAPT
SCHEMBL31349320 0.83 POLB (0.59) POLBSLC2A1L3MBTL1MITFMAPT
SCHEMBL31349215 0.83 POLB (0.56) POLBSLC2A1MAPTHTTSMN1; SMN2
Oxalic Acid SCHEMBL31349270 0.81 POLB (0.56) POLBL3MBTL1KMT2A
SCHEMBL31349278 0.80 POLB (0.57) POLBL3MBTL1MAPTNPSR1LMNA
SCHEMBL31349269 0.80 POLB (0.60) POLBSLC2A1L3MBTL1
SCHEMBL31349290 0.80 POLB (0.60) POLBSLC2A1L3MBTL1
SCHEMBL31349213 0.80 POLB (0.60) POLBL3MBTL1MAPT
SCHEMBL13219627 0.80 POLB (0.70) POLBSLC2A1L3MBTL1MAPTLMNA
SCHEMBL13219624 0.80 POLB (0.60) POLBL3MBTL1MAPTHTTSMN1; SMN2

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-4743446-A1 NITRO-CONTAINING COMPOUNDS THAT KILL MYCOBACTERIA Board of Trustees of Michigan State University (US) 2026-05-20 — — EP disclosed
WO-2025015066-A1 NITRO-CONTAINING COMPOUNDS THAT KILL MYCOBACTERIA BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2025-01-16 — — WO disclosed
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