SCHEMBL31349227

SCHEMBL31349227

O=[N+]([O-])c1ccc(CN2CCN(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)o1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ CASP6 P55212 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ SRPK1 Q96SB4 1/20 0.39
▸ SLC2A1 P11166 1/20 0.39

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
SCHEMBL31349245 0.90 POLB (0.55) POLBL3MBTL1KDM4EMEN1NPC1
SCHEMBL31349219 0.89 POLB (0.57) POLBL3MBTL1SLC2A1
SCHEMBL31349236 0.85 POLB (0.53) POLBL3MBTL1MEN1NPC1KMT2A
SCHEMBL31349251 0.83 POLB (0.60) POLBL3MBTL1MAPTSLC2A1
SCHEMBL31349291 0.82 POLB (0.57) POLBMEN1ALDH1A1MAPTKMT2A
SCHEMBL31349298 0.82 POLB (0.57) POLBL3MBTL1MEN1ALDH1A1MAPT
SCHEMBL31349222 0.82 POLB (0.54) POLBL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL31349306 0.81 POLB (0.51) POLBL3MBTL1MAPTSLC2A1
SCHEMBL31349213 0.81 POLB (0.60) POLBL3MBTL1KDM4EALDH1A1MAPT
SCHEMBL13219627 0.80 POLB (0.70) POLBL3MBTL1KDM4EMAPTSLC2A1

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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