SCHEMBL31349245

SCHEMBL31349245

O=[N+]([O-])c1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)o1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.55
▸ KDM4E B2RXH2 5/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ MAPT P10636 2/20 0.52
▸ HTT P42858 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ HSP90AA1 P07900 1/20 0.52
▸ CASP6 P55212 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ LMNA P02545 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ HTR7 P34969 1/20 0.50
▸ KDM4C Q9H3R0 1/20 0.48

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
SCHEMBL31349227 0.90 POLB (0.56) POLBKDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL31349219 0.86 POLB (0.57) POLBL3MBTL1
SCHEMBL13479639 0.84 POLB (0.60) POLBL3MBTL1
SCHEMBL31349226 0.83 POLB (0.58) POLBKDM4EL3MBTL1MAPTLMNA
SCHEMBL31349236 0.83 POLB (0.53) POLBL3MBTL1MEN1NPC1KMT2A
SCHEMBL13219627 0.82 POLB (0.70) POLBKDM4EL3MBTL1MAPTLMNA
SCHEMBL31349298 0.82 POLB (0.57) POLBL3MBTL1ALDH1A1MAPTHTT
SCHEMBL31349291 0.82 POLB (0.57) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL31349306 0.81 POLB (0.51) POLBL3MBTL1MAPTLMNATP53
SCHEMBL11622596 0.81 KDM4E (0.59) POLBKDM4EALDH1A1MAPTTDP1

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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