SCHEMBL31349224

SCHEMBL31349224

O=C(c1ccc([N+](=O)[O-])o1)N1CCCN(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 2/20 0.63
▸ ALDH1A1 P00352 3/20 0.57
▸ POLB P06746 6/20 0.53
▸ KMT2A Q03164 6/20 0.52
▸ MITF O75030 6/20 0.52
▸ MEN1 O00255 5/20 0.52
▸ PAX8 Q06710 5/20 0.52
▸ MAPT P10636 5/20 0.52
▸ NPSR1 Q6W5P4 3/20 0.52
▸ LMNA P02545 2/20 0.52
▸ S1PR4 O95977 1/20 0.52
▸ S1PR1 P21453 1/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ SLC6A9 P48067 1/20 0.52
▸ SLC6A5 Q9Y345 1/20 0.52
▸ HTT P42858 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ MAPK1 P28482 1/20 0.51

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
SCHEMBL31349253 0.84 ALDH1A1 (0.62) SLC2A1ALDH1A1POLBKMT2AMITF
SCHEMBL6427605 0.83 ALDH1A1 (0.66) ALDH1A1POLBKMT2AMITFMEN1
SCHEMBL31349311 0.82 POLB (0.76) ALDH1A1POLBKMT2AMITFMEN1
SCHEMBL31349326 0.81 ALDH1A1 (0.66) SLC2A1ALDH1A1POLBKMT2AMITF
SCHEMBL6427542 0.81 ALDH1A1 (0.69) SLC2A1ALDH1A1POLBKMT2AMITF
SCHEMBL31349209 0.80 MEN1 (0.64) SLC2A1ALDH1A1KMT2AMEN1MAPT
SCHEMBL31349203 0.80 SLC6A9 (0.61) SLC2A1ALDH1A1POLBKMT2AMITF
SCHEMBL31349207 0.80 SLC2A1 (0.59) SLC2A1ALDH1A1POLBKMT2AMITF
SCHEMBL31349212 0.80 POLB (0.70) SLC2A1ALDH1A1POLBKMT2AMAPT
SCHEMBL31349242 0.79 SLC2A1 (0.52) SLC2A1ALDH1A1POLBKMT2AMITF

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