SCHEMBL29079160

SCHEMBL29079160

COC(=O)C1=C(C)NC=C(C(=O)O)C1c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 4/20 0.40
ABCC9 O60706 1/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
KCNJ8 Q15842 1/20 0.39
ATM Q13315 1/20 0.39
CACNA1C Q13936 5/20 0.38
CACNA1F O60840 3/20 0.38
CACNA1D Q01668 3/20 0.38
CACNA1S Q13698 3/20 0.38
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 3/20 0.38
ADORA3 P0DMS8 3/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2C19 P33261 3/20 0.38
NFKB1 P19838 2/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL29079158 0.93 TSHR (0.44) TSHRLMNANPSR1MAPTABCC9
SCHEMBL26970373 0.90 NOTUM (0.39) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL29079165 0.83 KDM4E (0.54) TSHRLMNANPSR1ABCC9ABCC8
SCHEMBL24477889 0.78 KDM4E (0.59) TSHRLMNANPSR1ABCC9ABCC8
SCHEMBL30483543 0.78 KDM4E (0.59) TSHRLMNANPSR1ABCC9ABCC8
SCHEMBL26970372 0.77 KMO (0.39) ABCC9ABCC8KCNJ11KCNJ8ATM
SCHEMBL29079190 0.71 GAA (0.56) LMNAMAPTATMMEN1KMT2A
SCHEMBL7102192 0.70 ABCC9 (0.50) TSHRMAPTABCC9ABCC8KCNJ11
SCHEMBL29079159 0.70 KDM4E (0.46) ATMMEN1KMT2A
SCHEMBL7881090 0.68 TSHR (0.59) TSHRLMNANPSR1MAPTABCC9

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-116601145-A Potent and selective calcium-activated potassium channel K for plateau treatment Ca 3.1 inhibitors 南洋理工大学 2023-08-15 CN disclosed