SCHEMBL31349291

SCHEMBL31349291

O=[N+]([O-])c1ccc(CN2CCN(c3ccc(C(F)(F)F)cc3F)CC2)o1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.57
▸ SLC6A9 P48067 1/20 0.48
▸ SLC6A5 Q9Y345 1/20 0.48
▸ SRPK1 Q96SB4 6/20 0.47
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL31349298 0.89 POLB (0.57) POLBSRPK1MEN1ALDH1A1MAPT
SCHEMBL31349219 0.83 POLB (0.57) POLB
SCHEMBL31349227 0.82 POLB (0.56) POLBSRPK1MEN1ALDH1A1MAPT
SCHEMBL13219630 0.82 POLB (0.74) POLBALDH1A1MAPT
SCHEMBL31349245 0.82 POLB (0.55) POLBMEN1ALDH1A1MAPTKMT2A
SCHEMBL31349258 0.81 POLB (0.57) POLBSLC6A9SLC6A5ALDH1A1MAPT
SCHEMBL31349236 0.80 POLB (0.53) POLBMEN1KMT2A
SCHEMBL31349261 0.79 SMN1; SMN2 (0.53) POLBMEN1ALDH1A1MAPTKMT2A
SCHEMBL31349222 0.78 POLB (0.54) POLBSRPK1MEN1KMT2A
SCHEMBL31349203 0.78 SLC6A9 (0.61) POLBSLC6A9SLC6A5MEN1ALDH1A1

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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