SCHEMBL31349220

SCHEMBL31349220

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

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.56
▸ ALDH1A1 P00352 6/20 0.52
▸ MITF O75030 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ PAX8 Q06710 2/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ KMT2A Q03164 2/20 0.50
▸ MCHR1 Q99705 1/20 0.50
▸ RAB9A P51151 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ LMNA P02545 2/20 0.44
▸ SLC2A1 P11166 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ MTNR1B P49286 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL31349278 0.86 POLB (0.57) POLBALDH1A1MAPTNPSR1KDM4E
SCHEMBL31349303 0.82 POLB (0.56) POLBALDH1A1MAPTNPSR1KDM4E
SCHEMBL13219632 0.80 POLB (0.64) POLBALDH1A1MITFMAPTNPSR1
SCHEMBL31349287 0.80 POLB (0.56) POLBALDH1A1MAPTNPSR1KDM4E
SCHEMBL31349325 0.79 POLB (0.58) POLBALDH1A1MITFMAPTPAX8
SCHEMBL31349324 0.76 FAAH (0.58) POLBMAPTKDM4E
SCHEMBL31349260 0.75 KDM4E (0.56) POLBNPSR1KDM4EKMT2AMEN1
SCHEMBL13219626 0.75 POLB (0.65) POLBALDH1A1MAPTKDM4EKMT2A
SCHEMBL31349289 0.75 POLB (0.58) POLBALDH1A1MITFMAPTPAX8
SCHEMBL31349286 0.75 POLB (0.53) POLBALDH1A1NPSR1KDM4EKMT2A

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
Send feedback