SCHEMBL31349289

SCHEMBL31349289

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

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.58
▸ SLC2A1 P11166 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ KMT2A Q03164 1/20 0.45
▸ MAPT P10636 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ MITF O75030 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ PAX8 Q06710 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL31349234 0.88 POLB (0.55) POLBSLC2A1L3MBTL1KMT2AMAPT
SCHEMBL31349320 0.86 POLB (0.59) POLBSLC2A1L3MBTL1KMT2AMAPT
SCHEMBL31349215 0.86 POLB (0.56) POLBSLC2A1KMT2AMAPTALDH1A1
Oxalic Acid SCHEMBL31349270 0.84 POLB (0.56) POLBL3MBTL1KMT2A
SCHEMBL31349213 0.83 POLB (0.60) POLBL3MBTL1MAPTALDH1A1
SCHEMBL31349290 0.83 POLB (0.60) POLBSLC2A1L3MBTL1
SCHEMBL31349269 0.83 POLB (0.60) POLBSLC2A1L3MBTL1
SCHEMBL13219627 0.83 POLB (0.70) POLBSLC2A1L3MBTL1MAPT
SCHEMBL13219624 0.82 POLB (0.60) POLBL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL31349297 0.82 POLB (0.60) POLBSLC2A1L3MBTL1MAPTMITF

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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