SCHEMBL31349261

SCHEMBL31349261

O=[N+]([O-])c1ccc(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ LMNA P02545 1/20 0.53
▸ POLB P06746 1/20 0.52
▸ KMT2A Q03164 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ DRD4 P21917 1/20 0.47
▸ GRM2 Q14416 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPT P10636 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ NPBWR1 P48145 1/20 0.45
▸ MCHR1 Q99705 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ PPARG P37231 1/20 0.45
▸ PPARD Q03181 1/20 0.45
▸ PPARA Q07869 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ SERPINE1 P05121 1/20 0.44
▸ HTR7 P34969 1/20 0.43
▸ GAA P10253 1/20 0.43

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
SCHEMBL31349222 0.87 POLB (0.54) SMN1; SMN2LMNAPOLBKMT2AMEN1
SCHEMBL31349219 0.83 POLB (0.57) POLBL3MBTL1PPARDPPARA
SCHEMBL31349205 0.82 SMN1; SMN2 (0.54) SMN1; SMN2LMNAPOLBKMT2AMEN1
SCHEMBL31349227 0.80 POLB (0.56) SMN1; SMN2POLBKMT2AMEN1ALDH1A1
SCHEMBL31349214 0.80 POLB (0.51) SMN1; SMN2LMNAPOLBALDH1A1MAPT
SCHEMBL31349236 0.80 POLB (0.53) POLBKMT2AMEN1L3MBTL1PPARD
SCHEMBL31349291 0.79 POLB (0.57) POLBKMT2AMEN1ALDH1A1MAPT
SCHEMBL31349299 0.79 POLB (0.54) POLBDRD4L3MBTL1
SCHEMBL31349298 0.79 POLB (0.57) SMN1; SMN2LMNAPOLBKMT2AMEN1
SCHEMBL31349209 0.78 MEN1 (0.64) SMN1; SMN2LMNAKMT2AMEN1ALDH1A1

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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