SCHEMBL31349323

SCHEMBL31349323

O=C(NCC1CC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.65
▸ HTT P42858 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ ALOX5 P09917 2/20 0.49
▸ PKM P14618 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ CYP3A4 P08684 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MAPT P10636 2/20 0.46

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
SCHEMBL29945589 0.97 POLB (0.65) POLBHTTLMNAALDH1A1ALOX5
SCHEMBL5118138 0.84 POLB (0.61) POLBHTTALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL29945642 0.84 POLB (0.58) POLBALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL28871798 0.84 POLB (0.58) POLBALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL1326710 0.80 POLB (0.51) POLBHTTLMNAALDH1A1ALOX5
Hydrochloric Acid SCHEMBL4032484 0.79 POLB (0.76) POLBLMNAALDH1A1L3MBTL1CYP3A4
Hydrochloric Acid SCHEMBL4032486 0.79 POLB (0.76) POLBLMNAALDH1A1L3MBTL1CYP3A4
SCHEMBL5946839 0.78 POLB (0.72) POLBHTTALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL29945641 0.78 ALDH1A1 (0.58) POLBLMNAALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL17434345 0.77 ALDH1A1 (0.57) POLBALDH1A1L3MBTL1CYP3A4SMN1; SMN2

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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