SCHEMBL31349260

SCHEMBL31349260

O=C(NCc1ccccc1)N1CCN(Cc2ccc([N+](=O)[O-])o2)CC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.56
▸ POLB P06746 1/20 0.54
▸ HRH3 Q9Y5N1 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ TPSAB1 Q15661 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HTR1A P08908 1/20 0.46
▸ HTR7 P34969 1/20 0.46
▸ FAAH O00519 1/20 0.45

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 0.85 FAAH (0.58) KDM4EPOLBFAAH
SCHEMBL13219626 0.83 POLB (0.65) KDM4EPOLBL3MBTL1MEN1KMT2A
SCHEMBL31349325 0.81 POLB (0.58) KDM4EPOLBL3MBTL1NPSR1MEN1
SCHEMBL31349286 0.81 POLB (0.53) KDM4EPOLBNPSR1MEN1KMT2A
SCHEMBL14190802 0.79 KDM4E (0.76) KDM4EHRH3TPSAB1TP53NPSR1
SCHEMBL31349303 0.78 POLB (0.56) KDM4EPOLBNPSR1KMT2A
SCHEMBL31349278 0.76 POLB (0.57) KDM4EPOLBHRH3L3MBTL1NPSR1
SCHEMBL13219627 0.76 POLB (0.70) KDM4EPOLBL3MBTL1
SCHEMBL31349220 0.75 POLB (0.56) KDM4EPOLBHRH3NPSR1MEN1
SCHEMBL12443384 0.75 ALDH1A1 (0.62) KDM4EPOLBL3MBTL1NPSR1MEN1

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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