SCHEMBL27354500

SCHEMBL27354500

NC(=O)Cc1cccc(OCCCCN2CCNCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 1/20 0.54
ROCK1 Q13464 3/20 0.53
ROCK2 O75116 1/20 0.53
EPHX2 P34913 3/20 0.52
HRH3 Q9Y5N1 8/20 0.47
CYP3A4 P08684 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47

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
SCHEMBL6754441 0.79 NR1H3 (0.53)
SCHEMBL4139801 0.79 KDM4E (0.60) KDM4EALDH1A1ROCK1ROCK2EPHX2
SCHEMBL14987027 0.79 KDM4E (0.62) KDM4EALDH1A1ROCK1ROCK2EPHX2
SCHEMBL13357674 0.78 ROCK1 (0.56) ROCK1CYP3A4ITGB3ITGA2B
SCHEMBL19920047 0.76 GLS (0.55) ITGB3ITGA2B
SCHEMBL5752269 0.75 LTA4H (0.64) ALDH1A1HRH3
SCHEMBL13865084 0.75 ALDH1A1 (0.51) KDM4EALDH1A1ROCK1ROCK2EPHX2
SCHEMBL11209971 0.74 PLA2G4B (0.61)
SCHEMBL7401219 0.74 TMEM97 (0.68) KDM4EALDH1A1
SCHEMBL22266155 0.74 LTA4H (0.62) HRH3

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-2024006742-A2 NRF2 PROTEIN DEGRADERS DRACEN PHARMACEUTICALS, INC. (US) 2024-01-04 WO disclosed