SCHEMBL31349303

SCHEMBL31349303

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

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SUV39H2 Q9H5I1 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL31349287 0.87 POLB (0.56) POLBALDH1A1NPSR1KDM4EMAPT
SCHEMBL31349278 0.84 POLB (0.57) POLBALDH1A1NPSR1KDM4EMAPT
SCHEMBL31349220 0.82 POLB (0.56) POLBALDH1A1NPSR1KDM4EMAPT
SCHEMBL31349286 0.82 POLB (0.53) POLBALDH1A1NPSR1KDM4EKMT2A
SCHEMBL13219632 0.80 POLB (0.64) POLBALDH1A1NPSR1KDM4EMAPT
SCHEMBL31349325 0.79 POLB (0.58) POLBALDH1A1NPSR1KDM4EMAPT
SCHEMBL31349324 0.79 FAAH (0.58) POLBKDM4EMAPT
SCHEMBL31349260 0.78 KDM4E (0.56) POLBNPSR1KDM4EKMT2A
SCHEMBL31349231 0.78 POLB (0.56) POLBALDH1A1NPSR1MAPTPKM
SCHEMBL13219624 0.76 POLB (0.60) POLBALDH1A1KDM4EMAPTTDP1

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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