SCHEMBL31349296

SCHEMBL31349296

O=C(c1ccc([N+](=O)[O-])o1)N1CCN(c2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 7/20 0.66
MEN1 O00255 7/20 0.66
KMT2A Q03164 7/20 0.66
MITF O75030 6/20 0.66
MAPT P10636 6/20 0.66
ALDH1A1 P00352 4/20 0.66
PAX8 Q06710 4/20 0.66
LMNA P02545 3/20 0.66
NPSR1 Q6W5P4 2/20 0.66
S1PR4 O95977 1/20 0.66
S1PR1 P21453 1/20 0.66
MAPK1 P28482 2/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
SLC6A7 Q99884 2/20 0.53

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
SCHEMBL6427542 0.93 ALDH1A1 (0.69) POLBMEN1KMT2AMITFMAPT
SCHEMBL31349230 0.88 MITF (0.69) POLBMEN1KMT2AMITFMAPT
SCHEMBL31349311 0.86 POLB (0.76) POLBMEN1KMT2AMITFMAPT
SCHEMBL6427605 0.85 ALDH1A1 (0.66) POLBMEN1KMT2AMITFMAPT
SCHEMBL6429048 0.83 ALDH1A1 (0.63) POLBMEN1KMT2AMITFMAPT
SCHEMBL31349313 0.83 ALDH1A1 (0.63) POLBMEN1KMT2AMITFMAPT
SCHEMBL31349326 0.83 ALDH1A1 (0.66) POLBMEN1KMT2AMITFMAPT
SCHEMBL6429133 0.82 POLB (0.71) POLBMEN1KMT2AMITFMAPT
SCHEMBL31349253 0.82 ALDH1A1 (0.62) POLBMEN1KMT2AMITFMAPT
SCHEMBL31349233 0.81 ALDH1A1 (0.59) POLBMEN1KMT2AMITFMAPT

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