SCHEMBL31056227

SCHEMBL31056227

COC(=O)c1cc(C=O)c(O)c2nccn12

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 16/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
JMJD6 Q6NYC1 1/20 0.34
CGAS Q8N884 1/20 0.32

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
SCHEMBL31055932 0.83 ERN1 (0.34) ERN1ALDH1A1
SCHEMBL2033695 0.81 ALDH1A1 (0.35) ERN1ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL30520926 0.73 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL31055986 0.73 KDM4E (0.42) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL2010586 0.71 HSP90AA1 (0.34) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL23029798 0.70 SSTR4 (0.42) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL19697437 0.70 KDM4E (0.41) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL12630599 0.69 KDM4E (0.43) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL2033885 0.69 KDM4E (0.43) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL2030923 0.69 GAA (0.36) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10

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-2024178390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2024-08-29 WO disclosed