SCHEMBL31623969

SCHEMBL31623969

Nc1nc(Br)ncc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
CYP3A4 P08684 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
DHFR P00374 1/20 0.37
MAPT P10636 4/20 0.36
PIN1 Q13526 2/20 0.36
ALOX15 P16050 2/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 3/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
CTSB P07858 1/20 0.35
GSK3B P49841 1/20 0.34
CDK2 P24941 1/20 0.34
MGMT P16455 1/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL1414668 0.80 DHFR (0.53) ALDH1A1L3MBTL1DHFRMAPTPIN1
SCHEMBL9007010 0.77 L3MBTL1 (0.39) ALDH1A1CYP3A4L3MBTL1DHFRMAPT
SCHEMBL2632674 0.77 ALDH1A1 (0.41) ALDH1A1CYP3A4L3MBTL1DHFRMAPT
SCHEMBL1194395 0.77 PIN1 (0.52) DHFRPIN1
SCHEMBL2950586 0.77 LMNA (0.42) ALDH1A1CYP3A4L3MBTL1DHFRMAPT
SCHEMBL14641049 0.74 PIN1 (0.40) ALDH1A1CYP3A4L3MBTL1DHFRMAPT
SCHEMBL2625492 0.73 L3MBTL1 (0.38) ALDH1A1CYP3A4L3MBTL1DHFRMAPT
SCHEMBL12590879 0.73 ALDH1A1 (0.41) ALDH1A1CYP3A4L3MBTL1DHFRMAPT
SCHEMBL18776173 0.73 DAPK3 (0.44) ALDH1A1L3MBTL1MAPTPIN1TDP1
SCHEMBL5789457 0.73 HASPIN (0.44) ALDH1A1L3MBTL1DHFRMAPTPIN1

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
WO-2025128873-A1 HETEROCYCLIC PYRIDINONE COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE VIGIL NEUROSCIENCE, INC. (US) 2025-06-19 WO disclosed
WO-2025128848-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE VIGIL NEUROSCIENCE, INC. (US) 2025-06-19 WO disclosed