SCHEMBL31753091

SCHEMBL31753091

CC#CC(=O)Nc1c(C(N)=O)cccc1C1C=Cc2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 1/20 0.32
HTR6 P50406 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL31753507 0.79 JAK3 (0.38) ALDH1A1KDM4E
SCHEMBL31753158 0.77 KDM4E (0.42) HTR6ALDH1A1MAPTKDM4E
SCHEMBL31751986 0.74 BTK (0.36)
SCHEMBL29354764 0.65 KDM4E (0.40) ALDH1A1MAPTKDM4E
SCHEMBL25439186 0.62 KDM4E (0.35) ALDH1A1MAPTKDM4E
SCHEMBL7150158 0.60 ALDH1A1 (0.38) HTR6ALDH1A1
SCHEMBL29972974 0.60 HTR6 (0.46) HTR6ALDH1A1MAPTKDM4E
SCHEMBL30241095 0.60 ALDH1A1 (0.38) HTR6ALDH1A1
SCHEMBL3213505 0.60 SIGMAR1 (0.31) HTR6
SCHEMBL7091333 0.59 HTR6 (0.53) HTR6ALDH1A1MAPTKDM4E

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-2025081045-A9 CYSTEINE COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2025-12-26 WO disclosed