SCHEMBL31349222

SCHEMBL31349222

O=[N+]([O-])c1ccc(CN2CCN(c3ncc(C(F)(F)F)cn3)CC2)o1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.54
▸ PPARG P37231 1/20 0.42
▸ PPARD Q03181 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CHRM2 P08172 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SRPK1 Q96SB4 1/20 0.38
▸ SLC2A1 P11166 1/20 0.38

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
SCHEMBL31349261 0.87 SMN1; SMN2 (0.53) POLBPPARGPPARDPPARAMEN1
SCHEMBL31349205 0.83 SMN1; SMN2 (0.54) POLBMEN1KMT2ALMNASMN1; SMN2
SCHEMBL31349219 0.83 POLB (0.57) POLBPPARDPPARAL3MBTL1SLC2A1
SCHEMBL31349227 0.82 POLB (0.56) POLBMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL31349264 0.82 POLB (0.51) POLBMEN1KMT2A
SCHEMBL31349245 0.79 POLB (0.55) POLBMEN1KMT2AL3MBTL1LMNA
SCHEMBL31349236 0.79 POLB (0.53) POLBPPARDPPARAMEN1KMT2A
SCHEMBL31349291 0.78 POLB (0.57) POLBMEN1KMT2ASRPK1
SCHEMBL31349298 0.78 POLB (0.57) POLBMEN1KMT2AL3MBTL1LMNA
SCHEMBL31349207 0.77 SLC2A1 (0.59) POLBMEN1KMT2ALMNASLC2A1

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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