SCHEMBL31349325

SCHEMBL31349325

O=C(c1ccccc1)N1CCN(Cc2ccc([N+](=O)[O-])o2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.58
▸ ALDH1A1 P00352 4/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ LMNA P02545 3/20 0.53
▸ MITF O75030 2/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ S1PR4 O95977 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ S1PR1 P21453 1/20 0.53
▸ PAX8 Q06710 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ BLM P54132 1/20 0.49
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA7 P43166 1/20 0.49
▸ CA9 Q16790 1/20 0.49

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
SCHEMBL31349324 0.82 FAAH (0.58) POLBKDM4EMAPTCA12CA2
SCHEMBL13219626 0.82 POLB (0.65) POLBALDH1A1KDM4ELMNAMEN1
SCHEMBL31349320 0.81 POLB (0.59) POLBALDH1A1KDM4ELMNAMITF
SCHEMBL31349260 0.81 KDM4E (0.56) POLBKDM4EMEN1KMT2ANPSR1
SCHEMBL31349286 0.81 POLB (0.53) POLBALDH1A1KDM4EMEN1KMT2A
SCHEMBL31349278 0.80 POLB (0.57) POLBALDH1A1KDM4ELMNAMAPT
SCHEMBL13219627 0.80 POLB (0.70) POLBKDM4ELMNAMAPTL3MBTL1
SCHEMBL12443384 0.79 ALDH1A1 (0.62) POLBALDH1A1KDM4ELMNAMEN1
SCHEMBL31349220 0.79 POLB (0.56) POLBALDH1A1KDM4ELMNAMITF
SCHEMBL31349303 0.79 POLB (0.56) POLBALDH1A1KDM4EKMT2AMAPT

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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