SCHEMBL31349236

SCHEMBL31349236

O=[N+]([O-])c1ccc(CN2CCCN(c3ccc(C(F)(F)F)cc3)CC2)o1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ SLC2A1 P11166 2/20 0.41
▸ ENPP2 Q13822 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PPARD Q03181 1/20 0.40
▸ PPARA Q07869 1/20 0.40

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
SCHEMBL31349219 0.96 POLB (0.57) POLBL3MBTL1SLC2A1ENPP2HTR1A
SCHEMBL31349227 0.85 POLB (0.56) POLBL3MBTL1SLC2A1MEN1NPC1
SCHEMBL31349211 0.84 POLB (0.60) POLBL3MBTL1SLC2A1MEN1KMT2A
SCHEMBL31349213 0.83 POLB (0.60) POLBL3MBTL1
SCHEMBL31349245 0.83 POLB (0.55) POLBL3MBTL1MEN1NPC1KMT2A
SCHEMBL31349269 0.80 POLB (0.60) POLBL3MBTL1SLC2A1
SCHEMBL31349290 0.80 POLB (0.60) POLBL3MBTL1SLC2A1
SCHEMBL13219627 0.80 POLB (0.70) POLBL3MBTL1SLC2A1
SCHEMBL31349261 0.80 SMN1; SMN2 (0.53) POLBL3MBTL1MEN1KMT2APPARD
SCHEMBL31349225 0.78 POLB (0.58) POLBL3MBTL1SLC2A1

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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