SCHEMBL31349218

SCHEMBL31349218

O=[N+]([O-])c1ccc(CN2CCN(c3ccc(Cl)cc3Cl)CC2)o1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.63
▸ KMT2A Q03164 6/20 0.50
▸ MITF O75030 5/20 0.50
▸ ALDH1A1 P00352 5/20 0.50
▸ RAB9A P51151 4/20 0.50
▸ MAPT P10636 4/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ HTT P42858 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ ADRB2 P07550 1/20 0.50
▸ NPC1 O15118 2/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ MAPK1 P28482 3/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ PAX8 Q06710 2/20 0.44
▸ GAA P10253 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
SCHEMBL31349251 0.84 POLB (0.60) POLBMAPTLMNAL3MBTL1
SCHEMBL13479639 0.83 POLB (0.60) POLBL3MBTL1GAA
SCHEMBL31349272 0.81 POLB (0.57) POLBMAPTLMNAL3MBTL1
SCHEMBL31349263 0.79 POLB (0.55) POLBKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL13219630 0.77 POLB (0.74) POLBALDH1A1MAPTLMNAL3MBTL1
SCHEMBL31349290 0.77 POLB (0.60) POLBL3MBTL1
SCHEMBL31349298 0.77 POLB (0.57) POLBKMT2AALDH1A1RAB9AMAPT
SCHEMBL31349258 0.77 POLB (0.57) POLBALDH1A1MAPTLMNAL3MBTL1
SCHEMBL31349291 0.77 POLB (0.57) POLBKMT2AALDH1A1MAPTMEN1
SCHEMBL13219627 0.76 POLB (0.70) POLBMAPTLMNAL3MBTL1

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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