SCHEMBL31349258

SCHEMBL31349258

O=[N+]([O-])c1ccc(N2CCN(Cc3ccc([N+](=O)[O-])o3)CC2)c(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ HTR7 P34969 1/20 0.45
▸ SLC6A9 P48067 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ SLC6A5 Q9Y345 1/20 0.40
▸ MAPT P10636 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
SCHEMBL31349291 0.81 POLB (0.57) POLBSLC6A9ALDH1A1SLC6A5MAPT
SCHEMBL31349298 0.81 POLB (0.57) POLBL3MBTL1ALDH1A1CYP3A4CYP2C9
SCHEMBL19212110 0.80 ALDH1A1 (0.61) L3MBTL1HTR7SLC6A9ALDH1A1CYP3A4
SCHEMBL15687873 0.79 ALDH1A1 (0.59) HTR7SLC6A9ALDH1A1LMNAGAA
SCHEMBL31349306 0.78 POLB (0.51) POLBL3MBTL1LMNAMAPT
SCHEMBL31349227 0.78 POLB (0.56) POLBL3MBTL1ALDH1A1MAPT
SCHEMBL28402916 0.78 ALDH1A1 (0.56) POLBHTR7SLC6A9ALDH1A1LMNA
SCHEMBL4938534 0.78 HTR7 (0.49) HTR7SLC6A9ALDH1A1LMNAGAA
SCHEMBL31349219 0.77 POLB (0.57) POLBL3MBTL1
SCHEMBL31349218 0.77 POLB (0.63) POLBL3MBTL1ALDH1A1LMNAGAA

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
Send feedback