SCHEMBL31389784

SCHEMBL31389784

CCOC(=O)c1nc2c(s1)CCC(C)(C)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
GAA P10253 4/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 1/20 0.39
CYP1A2 P05177 3/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
PDK1 Q15118 2/20 0.36
KDM4E B2RXH2 3/20 0.35
HPGD P15428 3/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35

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
SCHEMBL1397402 0.89 PDK1 (0.48) ALDH1A1GAALMNASMN1; SMN2HTT
SCHEMBL12922693 0.79 PARP1 (0.53) ALDH1A1GAALMNASMN1; SMN2HTT
SCHEMBL8005977 0.79 PARP1 (0.50) ALDH1A1GAALMNASMN1; SMN2HTT
SCHEMBL31389830 0.78 PDK1 (0.38) ALDH1A1GAASMN1; SMN2CYP1A2CYP2C9
SCHEMBL31389752 0.77 FABP4 (0.41) ALDH1A1GAALMNASMN1; SMN2HTT
SCHEMBL31389958 0.73 KDM4E (0.38) ALDH1A1GAALMNASMN1; SMN2HTT
SCHEMBL31389424 0.73 KDM4E (0.50) ALDH1A1GAALMNASMN1; SMN2PDK1
SCHEMBL1855201 0.72 ALDH1A1 (0.44) ALDH1A1GAAKDM4EHPGDMAPT
SCHEMBL977531 0.71 ADORA1 (0.52) ALDH1A1GAASMN1; SMN2CYP1A2CYP2C9
SCHEMBL2759857 0.71 PDK1 (0.46) ALDH1A1PDK1

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-2025043225-A2 DEGRADERS OF CYCLIN-DEPENDENT KINASE 2 GENENTECH, INC. (US) 2025-02-27 WO disclosed