SCHEMBL30656292

SCHEMBL30656292

CCOC(=O)c1nnc(SC)nc1O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 2/20 0.40
TSHR P16473 5/20 0.39
MAPT P10636 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GLP1R P43220 1/20 0.37

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
SCHEMBL4678132 1.00 LMNA (0.40) LMNAALDH1A1CYP1A2TSHRMAPT
SCHEMBL13528413 0.87 MEN1 (0.44) LMNAALDH1A1CYP1A2TSHRMAPT
SCHEMBL15206387 0.84 LMNA (0.40) LMNAALDH1A1CYP1A2TSHRMAPT
SCHEMBL29478346 0.83 LMNA (0.49) LMNAALDH1A1CYP1A2TSHRMAPT
SCHEMBL29558416 0.83 MEN1 (0.42) LMNAALDH1A1CYP1A2TSHRMAPT
SCHEMBL5228038 0.83 LMNA (0.49) LMNAALDH1A1CYP1A2TSHRMAPT
SCHEMBL5925649 0.83 MEN1 (0.42) LMNAALDH1A1CYP1A2TSHRMAPT
SCHEMBL15395508 0.80 ALDH1A1 (0.43) LMNAALDH1A1CYP1A2TSHRMAPT
SCHEMBL14611715 0.80 RAB9A (0.51) LMNAALDH1A1CYP1A2TSHRMAPT
SCHEMBL31289927 0.79 MEN1 (0.44) LMNAALDH1A1CYP1A2TSHRMAPT

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-117136058-A Nitrogen-containing heterocyclic pyridine compounds 上海喆邺生物科技有限公司 2023-11-28 CN disclosed