SCHEMBL25813433

SCHEMBL25813433

[N-]=[N+]=NCCCCCN1CCN(CC(O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BAX Q07812 2/20 0.57
MAPT P10636 3/20 0.56
TP53 P04637 2/20 0.56
MAPK1 P28482 2/20 0.56
CYP3A4 P08684 1/20 0.56
ALOX15 P16050 1/20 0.56
RAD52 P43351 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
DNM1 Q05193 6/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NLRP1 Q9C000 1/20 0.43
P2RX3 P56373 1/20 0.42
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL25810632 0.84 BAX (0.63) BAXMAPTTP53MAPK1CYP3A4
SCHEMBL6819686 0.82 BAX (0.82) BAXMAPTTP53MAPK1CYP3A4
SCHEMBL607965 0.81 RAD52 (0.76) BAXMAPTTP53MAPK1CYP3A4
SCHEMBL24812814 0.81 BAX (0.60) BAXMAPTTP53MAPK1CYP3A4
SCHEMBL30102275 0.81 BAX (0.60) BAXMAPTTP53MAPK1CYP3A4
SCHEMBL24811573 0.81 BAX (0.60) BAXMAPTTP53MAPK1CYP3A4
SCHEMBL30102271 0.81 BAX (0.60) BAXMAPTTP53MAPK1CYP3A4
Hydrochloric Acid SCHEMBL30102057 0.80 MAPT (0.60) BAXMAPTTP53MAPK1CYP3A4
SCHEMBL30102344 0.80 BAX (0.61) BAXMAPTTP53MAPK1CYP3A4
SCHEMBL24814247 0.80 BAX (0.61) BAXMAPTTP53MAPK1CYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023122298-A1 PROTEIN STABILIZING COMPOUNDS CONTAINING USP28 AND/OR USP25 TARGETING LIGANDS Stablix, Inc. (US) 2023-06-29 WO disclosed