SCHEMBL29108201

SCHEMBL29108201

C=C(OCC)c1cnc(CO)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 1/20 0.35
DGAT1 O75907 1/20 0.33
DPP4 P27487 3/20 0.32
JMJD6 Q6NYC1 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 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
SCHEMBL29695127 1.00 PDE1B (0.35) PDE1BDGAT1DPP4JMJD6ALDH1A1
SCHEMBL29108175 0.87 PDE1B (0.35) PDE1BDGAT1DPP4JMJD6
SCHEMBL30640096 0.83 PDE1B (0.31) PDE1BDGAT1
SCHEMBL31161564 0.80 DGAT1 (0.40) PDE1BDGAT1JMJD6ALDH1A1MAPT
SCHEMBL30640188 0.80 PDE1B (0.30) PDE1B
SCHEMBL29694852 0.79
SCHEMBL29694980 0.78
SCHEMBL30741539 0.76 AGBL2 (0.39) DPP4JMJD6ALDH1A1LMNAMAPT
SCHEMBL25219283 0.71 HCAR2 (0.46) PDE1BDPP4ALDH1A1LMNAMAPT
SCHEMBL30481154 0.71 HCAR2 (0.46) PDE1BDPP4ALDH1A1LMNAMAPT

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
CN-117083271-A Substituted thiadiazolyl derivatives as DNA polymerase theta inhibitors 伊迪亚生物科学有限公司 2023-11-17 CN disclosed